Thiophenols

Organosulfur compounds that consist of a phenyl ring with a thiol functional group substitution; thiol functional groups consist of a sulfur atom bonded to a hydrogen atom (-SH).

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Pentafluorothiophenol, 97%

CAS: 771-62-0 Molecular Formula: C6HF5S Molecular Weight (g/mol): 200.13 MDL Number: MFCD00004828 InChI Key: UVAMFBJPMUMURT-UHFFFAOYSA-N Synonym: pentafluorothiophenol,pentafluorobenzenethiol,benzenethiol, pentafluoro,pentafluorophenyl mercaptan,2,3,4,5,6-pentafluorothiophenol,2,3,4,5,6-pentafluorobenzene-1-thiol,pentafluorobenzene thiol,pentafluorobenzene-1-thiol,2,3,4,5,6-pentafluorothiphenol PubChem CID: 13042 IUPAC Name: 2,3,4,5,6-pentafluorobenzenethiol SMILES: FC1=C(F)C(F)=C(S)C(F)=C1F

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PubChem CID	13042
CAS	771-62-0
Molecular Weight (g/mol)	200.13
MDL Number	MFCD00004828
SMILES	FC1=C(F)C(F)=C(S)C(F)=C1F
Synonym	pentafluorothiophenol,pentafluorobenzenethiol,benzenethiol, pentafluoro,pentafluorophenyl mercaptan,2,3,4,5,6-pentafluorothiophenol,2,3,4,5,6-pentafluorobenzene-1-thiol,pentafluorobenzene thiol,pentafluorobenzene-1-thiol,2,3,4,5,6-pentafluorothiphenol
IUPAC Name	2,3,4,5,6-pentafluorobenzenethiol
InChI Key	UVAMFBJPMUMURT-UHFFFAOYSA-N
Molecular Formula	C6HF5S

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3,4-Dimethylthiophenol, 98%, Thermo Scientific™

CAS: 18800-53-8 Molecular Formula: C₈H₁₀S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00010023 InChI Key: IDKCKPBAFOIONK-UHFFFAOYSA-N Synonym: 3,4-dimethylthiophenol,benzenethiol, 3,4-dimethyl,3,4-dimethyl thiophenol,o-xylene-4-thiol,4-mercapto-o-xylene,3,4-dimethylbenzene-1-thiol,pubchem6812,3,4-dimethyl-thiophenol,acmc-1bu1r,3,4-dimethyl-benzenethiol PubChem CID: 87799 IUPAC Name: 3,4-dimethylbenzenethiol SMILES: CC1=C(C=C(C=C1)S)C

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PubChem CID	87799
CAS	18800-53-8
Molecular Weight (g/mol)	138.23
MDL Number	MFCD00010023
SMILES	CC1=C(C=C(C=C1)S)C
Synonym	3,4-dimethylthiophenol,benzenethiol, 3,4-dimethyl,3,4-dimethyl thiophenol,o-xylene-4-thiol,4-mercapto-o-xylene,3,4-dimethylbenzene-1-thiol,pubchem6812,3,4-dimethyl-thiophenol,acmc-1bu1r,3,4-dimethyl-benzenethiol
IUPAC Name	3,4-dimethylbenzenethiol
InChI Key	IDKCKPBAFOIONK-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀S

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2-Chloro-4-fluorothiophenol, 97%

CAS: 175277-99-3 Molecular Formula: C6H4ClFS Molecular Weight (g/mol): 162.606 MDL Number: MFCD00052936 InChI Key: KUAPPJSILOMQPC-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorothiophenol,2-chloro-4-fluorobenzene-1-thiol,benzenethiol,2-chloro-4-fluoro,2-chloro-4-fluoro-benzenethiol,benzenethiol, 2-chloro-4-fluoro,pubchem2850,acmc-1caad,2-chloro-4-fluoro-thiophenol,4-fluoro-2-chloro-benzenethiol,# PubChem CID: 519446 IUPAC Name: 2-chloro-4-fluorobenzenethiol SMILES: C1=CC(=C(C=C1F)Cl)S

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PubChem CID	519446
CAS	175277-99-3
Molecular Weight (g/mol)	162.606
MDL Number	MFCD00052936
SMILES	C1=CC(=C(C=C1F)Cl)S
Synonym	2-chloro-4-fluorothiophenol,2-chloro-4-fluorobenzene-1-thiol,benzenethiol,2-chloro-4-fluoro,2-chloro-4-fluoro-benzenethiol,benzenethiol, 2-chloro-4-fluoro,pubchem2850,acmc-1caad,2-chloro-4-fluoro-thiophenol,4-fluoro-2-chloro-benzenethiol,#
IUPAC Name	2-chloro-4-fluorobenzenethiol
InChI Key	KUAPPJSILOMQPC-UHFFFAOYSA-N
Molecular Formula	C6H4ClFS

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2-Chlorothiophenol, 98%

CAS: 6320-03-2 Molecular Formula: C6H5ClS Molecular Weight (g/mol): 144.62 MDL Number: MFCD00004830 InChI Key: PWOBDMNCYMQTCE-UHFFFAOYSA-N Synonym: 2-chlorothiophenol,o-chlorothiophenol,benzenethiol, 2-chloro,1-chloro-2-mercaptobenzene,o-chlorobenzenethiol,o-chloromercaptobenzene,chlorothiophenol,benzenethiol, o-chloro,2-chlorobenzene-1-thiol,2-chloro thiophenol PubChem CID: 80599 IUPAC Name: 2-chlorobenzenethiol SMILES: C1=CC=C(C(=C1)S)Cl

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PubChem CID	80599
CAS	6320-03-2
Molecular Weight (g/mol)	144.62
MDL Number	MFCD00004830
SMILES	C1=CC=C(C(=C1)S)Cl
Synonym	2-chlorothiophenol,o-chlorothiophenol,benzenethiol, 2-chloro,1-chloro-2-mercaptobenzene,o-chlorobenzenethiol,o-chloromercaptobenzene,chlorothiophenol,benzenethiol, o-chloro,2-chlorobenzene-1-thiol,2-chloro thiophenol
IUPAC Name	2-chlorobenzenethiol
InChI Key	PWOBDMNCYMQTCE-UHFFFAOYSA-N
Molecular Formula	C6H5ClS

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1-Bromo-4-(trifluoromethylthio)benzene, 97%

CAS: 333-47-1 Molecular Formula: C7H4BrF3S Molecular Weight (g/mol): 257.068 MDL Number: MFCD00040840 InChI Key: CQQBVMXLTBXNLB-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio bromobenzene,1-bromo-4-trifluoromethyl sulfanyl benzene,4-bromophenyl trifluoromethyl sulfide,4-bromophenyl trifluoromethyl sulphide,1-bromo-4-trifluoromethylthio benzene,1-bromo-4-trifluoromethylthiobenzene,4-bromophenyl trifluoromethyl sulfane,1-bromo-4-trifluoromethyl thio benzene,4-bromo-1-trifluoromethylthio benzene,1-bromo-4-trifluoromethylsulfanyl benzene PubChem CID: 736413 IUPAC Name: 1-bromo-4-(trifluoromethylsulfanyl)benzene SMILES: C1=CC(=CC=C1SC(F)(F)F)Br

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PubChem CID	736413
CAS	333-47-1
Molecular Weight (g/mol)	257.068
MDL Number	MFCD00040840
SMILES	C1=CC(=CC=C1SC(F)(F)F)Br
Synonym	4-trifluoromethylthio bromobenzene,1-bromo-4-trifluoromethyl sulfanyl benzene,4-bromophenyl trifluoromethyl sulfide,4-bromophenyl trifluoromethyl sulphide,1-bromo-4-trifluoromethylthio benzene,1-bromo-4-trifluoromethylthiobenzene,4-bromophenyl trifluoromethyl sulfane,1-bromo-4-trifluoromethyl thio benzene,4-bromo-1-trifluoromethylthio benzene,1-bromo-4-trifluoromethylsulfanyl benzene
IUPAC Name	1-bromo-4-(trifluoromethylsulfanyl)benzene
InChI Key	CQQBVMXLTBXNLB-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3S

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4-Bromothioanisole, 98+%

CAS: 104-95-0 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.10 MDL Number: MFCD00000102 InChI Key: YEUYZNNBXLMFCW-UHFFFAOYSA-N Synonym: 4-bromothioanisole,1-bromo-4-methylthio benzene,p-bromophenyl methyl sulfide,4-bromophenyl methyl sulfide,benzene, 1-bromo-4-methylthio,1-bromo-4-methylsulfanyl benzene,p-bromothioanisole,4-bromo-thioanisole,methyl 4-bromophenylsulfide,p-bromo thioanisole PubChem CID: 66037 IUPAC Name: 1-bromo-4-methylsulfanylbenzene SMILES: CSC1=CC=C(Br)C=C1

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PubChem CID	66037
CAS	104-95-0
Molecular Weight (g/mol)	203.10
MDL Number	MFCD00000102
SMILES	CSC1=CC=C(Br)C=C1
Synonym	4-bromothioanisole,1-bromo-4-methylthio benzene,p-bromophenyl methyl sulfide,4-bromophenyl methyl sulfide,benzene, 1-bromo-4-methylthio,1-bromo-4-methylsulfanyl benzene,p-bromothioanisole,4-bromo-thioanisole,methyl 4-bromophenylsulfide,p-bromo thioanisole
IUPAC Name	1-bromo-4-methylsulfanylbenzene
InChI Key	YEUYZNNBXLMFCW-UHFFFAOYSA-N
Molecular Formula	C7H7BrS

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4-(Trifluoromethylthio)phenylacetic acid, 98%

CAS: 243977-23-3 Molecular Formula: C9H7F3O2S Molecular Weight (g/mol): 236.208 MDL Number: MFCD00236351 InChI Key: BFDKCZMYQOSTJG-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio phenylacetic acid,2-4-trifluoromethyl thio phenyl acetic acid,benzeneacetic acid, 4-trifluoromethyl thio,4-trifluoromethylsulfanyl-phenyl-acetic acid,2-4-trifluoromethylthio phenyl acetic acid,4-trifluoromethyl sulfanyl phenyl acetic acid,pubchem7296,acmc-1chv0 PubChem CID: 2777902 IUPAC Name: 2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)SC(F)(F)F

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PubChem CID	2777902
CAS	243977-23-3
Molecular Weight (g/mol)	236.208
MDL Number	MFCD00236351
SMILES	C1=CC(=CC=C1CC(=O)O)SC(F)(F)F
Synonym	4-trifluoromethylthio phenylacetic acid,2-4-trifluoromethyl thio phenyl acetic acid,benzeneacetic acid, 4-trifluoromethyl thio,4-trifluoromethylsulfanyl-phenyl-acetic acid,2-4-trifluoromethylthio phenyl acetic acid,4-trifluoromethyl sulfanyl phenyl acetic acid,pubchem7296,acmc-1chv0
IUPAC Name	2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI Key	BFDKCZMYQOSTJG-UHFFFAOYSA-N
Molecular Formula	C9H7F3O2S

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4-(Methylthio)phenylacetic acid, 97%

CAS: 16188-55-9 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00192325 InChI Key: AHMLFHMRRBJCRM-UHFFFAOYSA-N Synonym: 4-methylthio phenylacetic acid,4-methylthiophenylacetic acid,2-4-methylthio phenyl acetic acid,4-methylsulfanylphenyl acetic acid,benzeneacetic acid, 4-methylthio,4-methylsulfanyl-phenyl-acetic acid,2-4-methylsulfanyl phenyl acetic acid,4-methylsulfanyl phenyl acetic acid,2-4-methylthiophenyl acetic acid,4-methylthiophenylaceticacid PubChem CID: 4983912 IUPAC Name: 2-(4-methylsulfanylphenyl)acetic acid SMILES: CSC1=CC=C(C=C1)CC(=O)O

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PubChem CID	4983912
CAS	16188-55-9
Molecular Weight (g/mol)	182.237
MDL Number	MFCD00192325
SMILES	CSC1=CC=C(C=C1)CC(=O)O
Synonym	4-methylthio phenylacetic acid,4-methylthiophenylacetic acid,2-4-methylthio phenyl acetic acid,4-methylsulfanylphenyl acetic acid,benzeneacetic acid, 4-methylthio,4-methylsulfanyl-phenyl-acetic acid,2-4-methylsulfanyl phenyl acetic acid,4-methylsulfanyl phenyl acetic acid,2-4-methylthiophenyl acetic acid,4-methylthiophenylaceticacid
IUPAC Name	2-(4-methylsulfanylphenyl)acetic acid
InChI Key	AHMLFHMRRBJCRM-UHFFFAOYSA-N
Molecular Formula	C9H10O2S

2-(Methylthio)phenylboronic acid, 97%, Thermo Scientific™

CAS: 168618-42-6 Molecular Formula: C7H9BO2S Molecular Weight (g/mol): 168.02 MDL Number: MFCD01318165 InChI Key: QXBWTYBCNFKURT-UHFFFAOYSA-N Synonym: 2-methylthio phenylboronic acid,2-methylthiophenylboronic acid,2-methylthio phenyl boronic acid,2-methylthio benzeneboronic acid,2-thioanisoleboronic acid,2-methylsulfanylphenyl boronic acid,2-methylsulfanyl phenylboronic acid,2-methylsulfanyl phenyl boranediol,2-methylsulfanyl phenyl boronic acid,o-methylthio phenylboronic acid PubChem CID: 2773543 SMILES: CSC1=CC=CC=C1B(O)O

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PubChem CID	2773543
CAS	168618-42-6
Molecular Weight (g/mol)	168.02
MDL Number	MFCD01318165
SMILES	CSC1=CC=CC=C1B(O)O
Synonym	2-methylthio phenylboronic acid,2-methylthiophenylboronic acid,2-methylthio phenyl boronic acid,2-methylthio benzeneboronic acid,2-thioanisoleboronic acid,2-methylsulfanylphenyl boronic acid,2-methylsulfanyl phenylboronic acid,2-methylsulfanyl phenyl boranediol,2-methylsulfanyl phenyl boronic acid,o-methylthio phenylboronic acid
InChI Key	QXBWTYBCNFKURT-UHFFFAOYSA-N
Molecular Formula	C7H9BO2S

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2-Chloroethyl phenyl sulfide, 98%

CAS: 5535-49-9 Molecular Formula: C8H9ClS Molecular Weight (g/mol): 172.67 MDL Number: MFCD00013691 InChI Key: QDXIHHOPZFCEAP-UHFFFAOYSA-N Synonym: 2-chloroethyl phenyl sulfide,2-chloroethyl phenyl sulfane,2-chloroethyl sulfanyl benzene,2-chloroethyl thio benzene,2-chloroethylphenylsulfide,benzene, 2-chloroethyl thio,2-phenylthio ethyl chloride,2-phenylthioethylchloride,acmc-1axe6 PubChem CID: 21702 IUPAC Name: 2-chloroethylsulfanylbenzene SMILES: ClCCSC1=CC=CC=C1

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PubChem CID	21702
CAS	5535-49-9
Molecular Weight (g/mol)	172.67
MDL Number	MFCD00013691
SMILES	ClCCSC1=CC=CC=C1
Synonym	2-chloroethyl phenyl sulfide,2-chloroethyl phenyl sulfane,2-chloroethyl sulfanyl benzene,2-chloroethyl thio benzene,2-chloroethylphenylsulfide,benzene, 2-chloroethyl thio,2-phenylthio ethyl chloride,2-phenylthioethylchloride,acmc-1axe6
IUPAC Name	2-chloroethylsulfanylbenzene
InChI Key	QDXIHHOPZFCEAP-UHFFFAOYSA-N
Molecular Formula	C8H9ClS

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(4-Chlorophenylthio)acetic acid, 98%

CAS: 3405-88-7 Molecular Formula: C8H7ClO2S Molecular Weight (g/mol): 202.652 MDL Number: MFCD00021762 InChI Key: YPKLXLYGMAWXDO-UHFFFAOYSA-N Synonym: 4-chlorophenylthio acetic acid,2-4-chlorophenyl thio acetic acid,4-chlorophenyl thio acetic acid,p-chlorophenylmercaptoacetic acid,2-4-chlorophenyl sulfanyl acetic acid,2-p-chlorophenylthio acetic acid,p-chlorophenylthioacetic acid,4-chlorophenyl sulfanyl acetic acid,acetic acid, p-chlorophenyl thio,acetic acid, 4-chlorophenyl thio PubChem CID: 55471 IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid SMILES: C1=CC(=CC=C1SCC(=O)O)Cl

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PubChem CID	55471
CAS	3405-88-7
Molecular Weight (g/mol)	202.652
MDL Number	MFCD00021762
SMILES	C1=CC(=CC=C1SCC(=O)O)Cl
Synonym	4-chlorophenylthio acetic acid,2-4-chlorophenyl thio acetic acid,4-chlorophenyl thio acetic acid,p-chlorophenylmercaptoacetic acid,2-4-chlorophenyl sulfanyl acetic acid,2-p-chlorophenylthio acetic acid,p-chlorophenylthioacetic acid,4-chlorophenyl sulfanyl acetic acid,acetic acid, p-chlorophenyl thio,acetic acid, 4-chlorophenyl thio
IUPAC Name	2-(4-chlorophenyl)sulfanylacetic acid
InChI Key	YPKLXLYGMAWXDO-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2S

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Cyclopropyl phenyl sulfide, 98+%

CAS: 14633-54-6 Molecular Formula: C9H10S Molecular Weight (g/mol): 150.24 MDL Number: MFCD00009684 InChI Key: YIBKCPJOFAUAKY-UHFFFAOYSA-N Synonym: cyclopropyl phenyl sulfide,cyclopropyl phenyl sulfane,cyclopropylsulfanyl benzene,benzene, cyclopropylthio,cyclopropylphenylsulfide,cyclopropyl phenyl sulphide,unii-72c99lp48p,cyclopropylsulfanyl-benzene,pubchem10736,cyclopropylphenyl sulfide PubChem CID: 123348 IUPAC Name: cyclopropylsulfanylbenzene SMILES: C1CC1SC1=CC=CC=C1

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PubChem CID	123348
CAS	14633-54-6
Molecular Weight (g/mol)	150.24
MDL Number	MFCD00009684
SMILES	C1CC1SC1=CC=CC=C1
Synonym	cyclopropyl phenyl sulfide,cyclopropyl phenyl sulfane,cyclopropylsulfanyl benzene,benzene, cyclopropylthio,cyclopropylphenylsulfide,cyclopropyl phenyl sulphide,unii-72c99lp48p,cyclopropylsulfanyl-benzene,pubchem10736,cyclopropylphenyl sulfide
IUPAC Name	cyclopropylsulfanylbenzene
InChI Key	YIBKCPJOFAUAKY-UHFFFAOYSA-N
Molecular Formula	C9H10S

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4-(Trifluoromethylthio)aniline, 98%

CAS: 372-16-7 Molecular Formula: C7H6F3NS Molecular Weight (g/mol): 193.19 MDL Number: MFCD00040926 InChI Key: OHHHTUXVBNGOGI-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio aniline,4-trifluoromethyl thio aniline,4-trifluoromethyl sulfanyl aniline,4-aminophenyl trifluoromethyl sulfide,4-aminophenyl trifluoromethyl sulphide,4-trifluoromethylsulfanyl aniline,benzenamine, 4-trifluoromethyl thio,4-trifluoromethylthio phenylamine PubChem CID: 123054 SMILES: NC1=CC=C(SC(F)(F)F)C=C1

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PubChem CID	123054
CAS	372-16-7
Molecular Weight (g/mol)	193.19
MDL Number	MFCD00040926
SMILES	NC1=CC=C(SC(F)(F)F)C=C1
Synonym	4-trifluoromethylthio aniline,4-trifluoromethyl thio aniline,4-trifluoromethyl sulfanyl aniline,4-aminophenyl trifluoromethyl sulfide,4-aminophenyl trifluoromethyl sulphide,4-trifluoromethylsulfanyl aniline,benzenamine, 4-trifluoromethyl thio,4-trifluoromethylthio phenylamine
InChI Key	OHHHTUXVBNGOGI-UHFFFAOYSA-N
Molecular Formula	C7H6F3NS

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3-(tert-Butyldimethylsiloxy)thiophenol, 95%, Thermo Scientific Chemicals

CAS: 216393-56-5 Molecular Formula: C12H20OSSi Molecular Weight (g/mol): 240.44 MDL Number: MFCD01318115 InChI Key: KRHCTXFJCFMFOR-UHFFFAOYSA-N Synonym: 3-tert-butyldimethylsilyl oxy benzenethiol,3-tert-butyldimethylsiloxy thiophenol,acmc-20ani3,3-tert-butyl-dimethylsiloxy-thiophenol,3-tert-butyldimethylsilyloxy benzenethiol,3-t-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl dimethyl silyl oxy benzene-1-thiol,3-1,1-dimethylethyl dimethyl silyl oxy benzenethiol PubChem CID: 21976868 SMILES: CC(C)(C)[Si](C)(C)OC1=CC(S)=CC=C1

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PubChem CID	21976868
CAS	216393-56-5
Molecular Weight (g/mol)	240.44
MDL Number	MFCD01318115
SMILES	CC(C)(C)[Si](C)(C)OC1=CC(S)=CC=C1
Synonym	3-tert-butyldimethylsilyl oxy benzenethiol,3-tert-butyldimethylsiloxy thiophenol,acmc-20ani3,3-tert-butyl-dimethylsiloxy-thiophenol,3-tert-butyldimethylsilyloxy benzenethiol,3-t-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl dimethyl silyl oxy benzene-1-thiol,3-1,1-dimethylethyl dimethyl silyl oxy benzenethiol
InChI Key	KRHCTXFJCFMFOR-UHFFFAOYSA-N
Molecular Formula	C12H20OSSi

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Bis(phenylthio)methane, 98+%

CAS: 3561-67-9 Molecular Formula: C13H12S2 Molecular Weight (g/mol): 232.359 MDL Number: MFCD00003067 InChI Key: ZHUPZVIALZHGGP-UHFFFAOYSA-N Synonym: bis phenylthio methane,methylenebis thio bisbenzene,bis phenyithio methane,formaldehyde diphenyl mercaptal,1,1'-methylenebis thio bisbenzene,phenylsulfanyl methyl sulfanyl benzene,1-phenylthio methyl thio benzene,bis thiophenoxy methane PubChem CID: 77097 IUPAC Name: phenylsulfanylmethylsulfanylbenzene SMILES: C1=CC=C(C=C1)SCSC2=CC=CC=C2

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Specifications

PubChem CID	77097
CAS	3561-67-9
Molecular Weight (g/mol)	232.359
MDL Number	MFCD00003067
SMILES	C1=CC=C(C=C1)SCSC2=CC=CC=C2
Synonym	bis phenylthio methane,methylenebis thio bisbenzene,bis phenyithio methane,formaldehyde diphenyl mercaptal,1,1'-methylenebis thio bisbenzene,phenylsulfanyl methyl sulfanyl benzene,1-phenylthio methyl thio benzene,bis thiophenoxy methane
IUPAC Name	phenylsulfanylmethylsulfanylbenzene
InChI Key	ZHUPZVIALZHGGP-UHFFFAOYSA-N
Molecular Formula	C13H12S2

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