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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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1

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

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
2

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

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
3

4-(Trifluoromethoxy)thiophenol, 95%

CAS: 169685-29-4 Molecular Formula: C7H5F3OS Molecular Weight (g/mol): 194.171 MDL Number: MFCD00052312 InChI Key: JHVNSRJPBXPZJU-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy thiophenol,4-trifluoromethoxy benzenethiol,4-trifluoromethoxy benzene-1-thiol,4-trifluoromethoxythiophenol,benzenethiol, 4-trifluoromethoxy,pubchem15268,acmc-1bxy9,4-trifluoromethoxy-thiophenol,p-trifluoromethoxybenzenethiol PubChem CID: 2777360 IUPAC Name: 4-(trifluoromethoxy)benzenethiol SMILES: C1=CC(=CC=C1OC(F)(F)F)S

PubChem CID 2777360
CAS 169685-29-4
Molecular Weight (g/mol) 194.171
MDL Number MFCD00052312
SMILES C1=CC(=CC=C1OC(F)(F)F)S
Synonym 4-trifluoromethoxy thiophenol,4-trifluoromethoxy benzenethiol,4-trifluoromethoxy benzene-1-thiol,4-trifluoromethoxythiophenol,benzenethiol, 4-trifluoromethoxy,pubchem15268,acmc-1bxy9,4-trifluoromethoxy-thiophenol,p-trifluoromethoxybenzenethiol
IUPAC Name 4-(trifluoromethoxy)benzenethiol
InChI Key JHVNSRJPBXPZJU-UHFFFAOYSA-N
Molecular Formula C7H5F3OS
4

3,4-Dimercaptotoluene, 95%

CAS: 496-74-2 Molecular Formula: C7H8S2 Molecular Weight (g/mol): 156.27 MDL Number: MFCD00004844 InChI Key: NIAAGQAEVGMHPM-UHFFFAOYSA-N Synonym: toluene-3,4-dithiol,dithiol,1,2-benzenedithiol, 4-methyl,3,4-dimercaptotoluene,3,4-dimercaptotoluol,1,2-dimercapto-4-methylbenzene,4-methyl-1,2-benzenedithiol,3,4-toluenedithiol,o-toluenesulfonylamide,usaf b-59 PubChem CID: 10334 IUPAC Name: 4-methylbenzene-1,2-dithiol SMILES: CC1=CC(=C(C=C1)S)S

PubChem CID 10334
CAS 496-74-2
Molecular Weight (g/mol) 156.27
MDL Number MFCD00004844
SMILES CC1=CC(=C(C=C1)S)S
Synonym toluene-3,4-dithiol,dithiol,1,2-benzenedithiol, 4-methyl,3,4-dimercaptotoluene,3,4-dimercaptotoluol,1,2-dimercapto-4-methylbenzene,4-methyl-1,2-benzenedithiol,3,4-toluenedithiol,o-toluenesulfonylamide,usaf b-59
IUPAC Name 4-methylbenzene-1,2-dithiol
InChI Key NIAAGQAEVGMHPM-UHFFFAOYSA-N
Molecular Formula C7H8S2
5

1,3-Benzenedithiol, 95%

CAS: 626-04-0 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004842 InChI Key: ZWOASCVFHSYHOB-UHFFFAOYSA-N Synonym: 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j PubChem CID: 522062 IUPAC Name: benzene-1,3-dithiol SMILES: SC1=CC(S)=CC=C1

PubChem CID 522062
CAS 626-04-0
Molecular Weight (g/mol) 142.23
MDL Number MFCD00004842
SMILES SC1=CC(S)=CC=C1
Synonym 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j
IUPAC Name benzene-1,3-dithiol
InChI Key ZWOASCVFHSYHOB-UHFFFAOYSA-N
Molecular Formula C6H6S2
6

4-Bromothioanisole 99.0+%, TCI America™

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-(methylsulfanyl)benzene SMILES: CSC1=CC=C(Br)C=C1

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-(methylsulfanyl)benzene
InChI Key YEUYZNNBXLMFCW-UHFFFAOYSA-N
Molecular Formula C7H7BrS
7

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

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
8

Sigma Aldrich 4-(Methylthio)benzaldehyde

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 86°C to 90°C (1 mmHg)
Percent Purity 95%
Linear Formula CH3SC6H4CHO
CAS 3446-89-7
Molecular Weight (g/mol) 152.21
MDL Number MFCD00006948
Refractive Index n20/D 1.646 (literature)
Synonym 4-(Methylmercapto)benzaldehyde
Recommended Storage Room Temperature
Molecular Formula C8H8OS
EINECS Number 222-365-7
Density 1.144 g/mL (at 25°C (literature))