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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Thiophenol, 99%, AcroSeal™

CAS: 108-98-5 Molecular Formula: C₆H₆S Molecular Weight (g/mol): 110.17 MDL Number: MFCD00004826 InChI Key: RMVRSNDYEFQCLF-UHFFFAOYSA-N Synonym: thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto PubChem CID: 7969 ChEBI: CHEBI:48498 IUPAC Name: benzenethiol SMILES: C1=CC=C(C=C1)S

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PubChem CID	7969
CAS	108-98-5
Molecular Weight (g/mol)	110.17
ChEBI	CHEBI:48498
MDL Number	MFCD00004826
SMILES	C1=CC=C(C=C1)S
Synonym	thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto
IUPAC Name	benzenethiol
InChI Key	RMVRSNDYEFQCLF-UHFFFAOYSA-N
Molecular Formula	C₆H₆S

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4-Aminothiophenol, 96%

CAS: 1193-02-8 Molecular Formula: C6H6NS Molecular Weight (g/mol): 124.18 MDL Number: MFCD00007880 InChI Key: WCDSVWRUXWCYFN-UHFFFAOYSA-M Synonym: 4-aminothiophenol,4-mercaptoaniline,p-aminothiophenol,p-aminobenzenethiol,4-amino thiophenol,benzenethiol, 4-amino,p-mercaptoaniline,benzenethiol, p-amino,p-aminophenylmercaptan,4-aminophenyl mercaptan PubChem CID: 14510 IUPAC Name: 4-aminobenzenethiol SMILES: NC1=CC=C([S-])C=C1

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PubChem CID	14510
CAS	1193-02-8
Molecular Weight (g/mol)	124.18
MDL Number	MFCD00007880
SMILES	NC1=CC=C([S-])C=C1
Synonym	4-aminothiophenol,4-mercaptoaniline,p-aminothiophenol,p-aminobenzenethiol,4-amino thiophenol,benzenethiol, 4-amino,p-mercaptoaniline,benzenethiol, p-amino,p-aminophenylmercaptan,4-aminophenyl mercaptan
IUPAC Name	4-aminobenzenethiol
InChI Key	WCDSVWRUXWCYFN-UHFFFAOYSA-M
Molecular Formula	C6H6NS

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Thioanisole, 99%

CAS: 100-68-5 Molecular Formula: C₇H₈S Molecular Weight (g/mol): 124.21 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1

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PubChem CID	7520
CAS	100-68-5
Molecular Weight (g/mol)	124.21
MDL Number	MFCD00008559
SMILES	CSC1=CC=CC=C1
Synonym	thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
IUPAC Name	methylsulfanylbenzene
InChI Key	HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Formula	C₇H₈S

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o-Toluenethiol, 97%

CAS: 137-06-4 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.20 MDL Number: MFCD00004838 InChI Key: LXUNZSDDXMPKLP-UHFFFAOYSA-N Synonym: o-toluenethiol,o-thiocresol,2-methylthiophenol,2-thiocresol,2-toluenethiol,o-tolyl mercaptan,o-mercaptotoluene,o-methylthiophenol,o-methylbenzenethiol,benzenethiol, 2-methyl PubChem CID: 8712 IUPAC Name: 2-methylbenzenethiol SMILES: CC1=CC=CC=C1S

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PubChem CID	8712
CAS	137-06-4
Molecular Weight (g/mol)	124.20
MDL Number	MFCD00004838
SMILES	CC1=CC=CC=C1S
Synonym	o-toluenethiol,o-thiocresol,2-methylthiophenol,2-thiocresol,2-toluenethiol,o-tolyl mercaptan,o-mercaptotoluene,o-methylthiophenol,o-methylbenzenethiol,benzenethiol, 2-methyl
IUPAC Name	2-methylbenzenethiol
InChI Key	LXUNZSDDXMPKLP-UHFFFAOYSA-N
Molecular Formula	C7H8S

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1-Thionaphthol, 99%

CAS: 529-36-2 Molecular Formula: C10H7S Molecular Weight (g/mol): 159.23 MDL Number: MFCD00039599 InChI Key: SEXOVMIIVBKGGM-UHFFFAOYSA-M Synonym: 1-naphthalenethiol,1-thionaphthol,naphthalenethiol,1-naphthylthiol,unii-9a78cp495h,1-mercaptonaphthalene,.alpha.-naphthyl mercaptan,naphthalene thiol,1-napthalenethiol,naphthalen-1-thiol PubChem CID: 68259 IUPAC Name: naphthalene-1-thiol SMILES: [S-]C1=C2C=CC=CC2=CC=C1

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PubChem CID	68259
CAS	529-36-2
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00039599
SMILES	[S-]C1=C2C=CC=CC2=CC=C1
Synonym	1-naphthalenethiol,1-thionaphthol,naphthalenethiol,1-naphthylthiol,unii-9a78cp495h,1-mercaptonaphthalene,.alpha.-naphthyl mercaptan,naphthalene thiol,1-napthalenethiol,naphthalen-1-thiol
IUPAC Name	naphthalene-1-thiol
InChI Key	SEXOVMIIVBKGGM-UHFFFAOYSA-M
Molecular Formula	C10H7S

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1,2-Benzenedithiol, 96%

CAS: 17534-15-5 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004835 InChI Key: JRNVQLOKVMWBFR-UHFFFAOYSA-N Synonym: 1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol PubChem CID: 69370 IUPAC Name: benzene-1,2-dithiol SMILES: SC1=C(S)C=CC=C1

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PubChem CID	69370
CAS	17534-15-5
Molecular Weight (g/mol)	142.23
MDL Number	MFCD00004835
SMILES	SC1=C(S)C=CC=C1
Synonym	1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol
IUPAC Name	benzene-1,2-dithiol
InChI Key	JRNVQLOKVMWBFR-UHFFFAOYSA-N
Molecular Formula	C6H6S2

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4-Bromothiophenol, 95%

CAS: 106-53-6 Molecular Formula: C₆H₅BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00004845 InChI Key: FTBCOQFMQSTCQQ-UHFFFAOYSA-N Synonym: 4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17 PubChem CID: 66049 IUPAC Name: 4-bromobenzenethiol SMILES: C1=CC(=CC=C1S)Br

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PubChem CID	66049
CAS	106-53-6
Molecular Weight (g/mol)	189.07
MDL Number	MFCD00004845
SMILES	C1=CC(=CC=C1S)Br
Synonym	4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17
IUPAC Name	4-bromobenzenethiol
InChI Key	FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrS

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4-Nitrothiophenol, 96%

CAS: 1849-36-1 Molecular Formula: C6H5NO2S Molecular Weight (g/mol): 155.171 MDL Number: MFCD00007343 InChI Key: AXBVSRMHOPMXBA-UHFFFAOYSA-N Synonym: 4-nitrothiophenol,4-nitrobenzenethiol,p-nitrothiophenol,benzenethiol, 4-nitro,p-nitrophenyl mercaptan,p-nitrobenzenethiol,benzenethiol, p-nitro,4-nitrobenzene-1-thiol,4-nitrothiophenolate,4-nitro-benzenethiol PubChem CID: 15809 SMILES: C1=CC(=CC=C1[N+](=O)[O-])S

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PubChem CID	15809
CAS	1849-36-1
Molecular Weight (g/mol)	155.171
MDL Number	MFCD00007343
SMILES	C1=CC(=CC=C1[N+](=O)[O-])S
Synonym	4-nitrothiophenol,4-nitrobenzenethiol,p-nitrothiophenol,benzenethiol, 4-nitro,p-nitrophenyl mercaptan,p-nitrobenzenethiol,benzenethiol, p-nitro,4-nitrobenzene-1-thiol,4-nitrothiophenolate,4-nitro-benzenethiol
InChI Key	AXBVSRMHOPMXBA-UHFFFAOYSA-N
Molecular Formula	C6H5NO2S

5-chloro-2-(methylthio)aniline, 95%, Thermo Scientific™

CAS: 16423-54-4 Molecular Formula: C7H8ClNS Molecular Weight (g/mol): 173.658 MDL Number: MFCD00052816 InChI Key: RWUQNIPYCAHKMO-UHFFFAOYSA-N PubChem CID: 2794577 IUPAC Name: 5-chloro-2-methylsulfanylaniline SMILES: CSC1=C(C=C(C=C1)Cl)N

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PubChem CID	2794577
CAS	16423-54-4
Molecular Weight (g/mol)	173.658
MDL Number	MFCD00052816
SMILES	CSC1=C(C=C(C=C1)Cl)N
IUPAC Name	5-chloro-2-methylsulfanylaniline
InChI Key	RWUQNIPYCAHKMO-UHFFFAOYSA-N
Molecular Formula	C7H8ClNS

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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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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-Bromothiophenol, 95%

CAS: 6320-01-0 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00009603 InChI Key: HNGQQUDFJDROPY-UHFFFAOYSA-N Synonym: 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,# PubChem CID: 80597 IUPAC Name: 3-bromobenzenethiol SMILES: SC1=CC=CC(Br)=C1

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PubChem CID	80597
CAS	6320-01-0
Molecular Weight (g/mol)	189.07
MDL Number	MFCD00009603
SMILES	SC1=CC=CC(Br)=C1
Synonym	3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,#
IUPAC Name	3-bromobenzenethiol
InChI Key	HNGQQUDFJDROPY-UHFFFAOYSA-N
Molecular Formula	C6H5BrS

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4-Fluorothiophenol, 97%

CAS: 371-42-6 Molecular Formula: C₆H₅FS Molecular Weight (g/mol): 128.17 MDL Number: MFCD00004846 InChI Key: OKIHXNKYYGUVTE-UHFFFAOYSA-N Synonym: 4-fluorothiophenol,p-fluorothiophenol,4-fluorobenzene-1-thiol,4-fluoro thiophenol,p-fluorophenyl mercaptan,benzenethiol, 4-fluoro,4-fluoro-benzenethiol,4-mercaptofluorobenzene,4-fluorthiophenol,p-fluoro-thiophenol PubChem CID: 67789 IUPAC Name: 4-fluorobenzenethiol SMILES: C1=CC(=CC=C1F)S

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PubChem CID	67789
CAS	371-42-6
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00004846
SMILES	C1=CC(=CC=C1F)S
Synonym	4-fluorothiophenol,p-fluorothiophenol,4-fluorobenzene-1-thiol,4-fluoro thiophenol,p-fluorophenyl mercaptan,benzenethiol, 4-fluoro,4-fluoro-benzenethiol,4-mercaptofluorobenzene,4-fluorthiophenol,p-fluoro-thiophenol
IUPAC Name	4-fluorobenzenethiol
InChI Key	OKIHXNKYYGUVTE-UHFFFAOYSA-N
Molecular Formula	C₆H₅FS

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3-Mercaptophenol, 96%, Thermo Scientific Chemicals

CAS: 40248-84-8 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD01317829 InChI Key: DOFIAZGYBIBEGI-UHFFFAOYSA-N Synonym: 3-hydroxythiophenol,3-mercaptophenol,3-hydroxybenzenethiol,phenol, 3-mercapto,m-hydroxy thiophenol,3-hydroxy thiophenol,thioresorcin,3-hydroxythiophenol 3-mercaptophenol,3-sulphanylphenol,3-mercapto phenol PubChem CID: 2736613 IUPAC Name: 3-sulfanylphenol SMILES: OC1=CC(S)=CC=C1

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PubChem CID	2736613
CAS	40248-84-8
Molecular Weight (g/mol)	126.17
MDL Number	MFCD01317829
SMILES	OC1=CC(S)=CC=C1
Synonym	3-hydroxythiophenol,3-mercaptophenol,3-hydroxybenzenethiol,phenol, 3-mercapto,m-hydroxy thiophenol,3-hydroxy thiophenol,thioresorcin,3-hydroxythiophenol 3-mercaptophenol,3-sulphanylphenol,3-mercapto phenol
IUPAC Name	3-sulfanylphenol
InChI Key	DOFIAZGYBIBEGI-UHFFFAOYSA-N
Molecular Formula	C6H6OS

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2-Bromothiophenol, 97%

CAS: 6320-02-1 Molecular Formula: C₆H₅BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00004827 InChI Key: YUQUNWNSQDULTI-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 SMILES: SC1=CC=CC=C1Br

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PubChem CID	80599
CAS	6320-02-1
Molecular Weight (g/mol)	189.07
MDL Number	MFCD00004827
SMILES	SC1=CC=CC=C1Br
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
InChI Key	YUQUNWNSQDULTI-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrS

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