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-Benzenedithiol, 97%

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

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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

p-Thiocresol, 98%

CAS: 106-45-6 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00004851 InChI Key: WLHCBQAPPJAULW-UHFFFAOYSA-N Synonym: p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol PubChem CID: 7811 IUPAC Name: 4-methylbenzenethiol SMILES: CC1=CC=C(C=C1)S

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PubChem CID	7811
CAS	106-45-6
Molecular Weight (g/mol)	124.201
MDL Number	MFCD00004851
SMILES	CC1=CC=C(C=C1)S
Synonym	p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol
IUPAC Name	4-methylbenzenethiol
InChI Key	WLHCBQAPPJAULW-UHFFFAOYSA-N
Molecular Formula	C7H8S

4-Mercaptophenol, 98%

CAS: 637-89-8 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00004850 InChI Key: BXAVKNRWVKUTLY-UHFFFAOYSA-N Synonym: 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio PubChem CID: 240147 IUPAC Name: 4-sulfanylphenol SMILES: OC1=CC=C(S)C=C1

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PubChem CID	240147
CAS	637-89-8
Molecular Weight (g/mol)	126.17
MDL Number	MFCD00004850
SMILES	OC1=CC=C(S)C=C1
Synonym	4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio
IUPAC Name	4-sulfanylphenol
InChI Key	BXAVKNRWVKUTLY-UHFFFAOYSA-N
Molecular Formula	C6H6OS

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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Specifications

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

4-Aminothiophenol, 97%

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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Specifications

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

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

2-Naphthalenethiol, 98+%

CAS: 91-60-1 Molecular Formula: C₁₀H₈S Molecular Weight (g/mol): 160.2 MDL Number: MFCD00004086 InChI Key: RFCQDOVPMUSZMN-UHFFFAOYSA-N Synonym: 2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2 PubChem CID: 7058 IUPAC Name: naphthalene-2-thiol SMILES: C1=CC=C2C=C(C=CC2=C1)S

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Specifications

PubChem CID	7058
CAS	91-60-1
Molecular Weight (g/mol)	160.2
MDL Number	MFCD00004086
SMILES	C1=CC=C2C=C(C=CC2=C1)S
Synonym	2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2
IUPAC Name	naphthalene-2-thiol
InChI Key	RFCQDOVPMUSZMN-UHFFFAOYSA-N
Molecular Formula	C₁₀H₈S

2-Aminothiophenol, 98%

CAS: 137-07-5 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00007702 InChI Key: VRVRGVPWCUEOGV-UHFFFAOYSA-N Synonym: 2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol PubChem CID: 8713 IUPAC Name: 2-aminobenzenethiol SMILES: NC1=CC=CC=C1S

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Specifications

PubChem CID	8713
CAS	137-07-5
Molecular Weight (g/mol)	125.19
MDL Number	MFCD00007702
SMILES	NC1=CC=CC=C1S
Synonym	2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol
IUPAC Name	2-aminobenzenethiol
InChI Key	VRVRGVPWCUEOGV-UHFFFAOYSA-N
Molecular Formula	C6H7NS

4-Bromothioanisole, 97%

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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Specifications

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

Methyl p-tolyl sulfide, 97%

CAS: 623-13-2 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00008560 InChI Key: VHILIAIEEYLJNA-UHFFFAOYSA-N Synonym: methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide PubChem CID: 69334 IUPAC Name: 1-methyl-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C)C=C1

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Specifications

PubChem CID	69334
CAS	623-13-2
Molecular Weight (g/mol)	138.23
MDL Number	MFCD00008560
SMILES	CSC1=CC=C(C)C=C1
Synonym	methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide
IUPAC Name	1-methyl-4-methylsulfanylbenzene
InChI Key	VHILIAIEEYLJNA-UHFFFAOYSA-N
Molecular Formula	C8H10S

3-(Methylthio)phenyl isocyanate, 96%

CAS: 28479-19-8 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00013863 InChI Key: BKJABLMNBSVKCV-UHFFFAOYSA-N Synonym: 3-methylthio phenyl isocyanate,1-isocyanato-3-methylthio benzene,3-methylthiophenyl isocyanate,1-isocyanato-3-methylsulfanyl benzene,1-isocyanato-3-methylsulfanyl-benzene,3-methylthio phenylisocyanate,benzene, 1-isocyanato-3-methylthio,3-methylthiobenzenisocyanate,acmc-20anig,pubchem14329 PubChem CID: 141418 IUPAC Name: 1-isocyanato-3-methylsulfanylbenzene SMILES: CSC1=CC=CC(=C1)N=C=O

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Specifications

PubChem CID	141418
CAS	28479-19-8
Molecular Weight (g/mol)	165.21
MDL Number	MFCD00013863
SMILES	CSC1=CC=CC(=C1)N=C=O
Synonym	3-methylthio phenyl isocyanate,1-isocyanato-3-methylthio benzene,3-methylthiophenyl isocyanate,1-isocyanato-3-methylsulfanyl benzene,1-isocyanato-3-methylsulfanyl-benzene,3-methylthio phenylisocyanate,benzene, 1-isocyanato-3-methylthio,3-methylthiobenzenisocyanate,acmc-20anig,pubchem14329
IUPAC Name	1-isocyanato-3-methylsulfanylbenzene
InChI Key	BKJABLMNBSVKCV-UHFFFAOYSA-N
Molecular Formula	C8H7NOS

4-Chlorothiophenol, 98%

CAS: 106-54-7 MDL Number: MFCD00004847 InChI Key: VZXOZSQDJJNBRC-UHFFFAOYSA-N Synonym: 4-chlorothiophenol,p-chlorothiophenol,benzenethiol, 4-chloro,p-chlorobenzenethiol,p-chlorthiofenol,p-chlorophenylmercaptan,benzenethiol, p-chloro,p-mercaptochlorobenzene,4-chlorophenylmercaptan,1-chloro-4-mercaptobenzene PubChem CID: 7815 IUPAC Name: 4-chlorobenzenethiol SMILES: C1=CC(=CC=C1S)Cl

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Specifications

PubChem CID	7815
CAS	106-54-7
MDL Number	MFCD00004847
SMILES	C1=CC(=CC=C1S)Cl
Synonym	4-chlorothiophenol,p-chlorothiophenol,benzenethiol, 4-chloro,p-chlorobenzenethiol,p-chlorthiofenol,p-chlorophenylmercaptan,benzenethiol, p-chloro,p-mercaptochlorobenzene,4-chlorophenylmercaptan,1-chloro-4-mercaptobenzene
IUPAC Name	4-chlorobenzenethiol
InChI Key	VZXOZSQDJJNBRC-UHFFFAOYSA-N

3-Chlorothiophenol, 97%

CAS: 2037-31-2 Molecular Formula: C6H5ClS Molecular Weight (g/mol): 144.62 MDL Number: MFCD00004839 InChI Key: CQJDYPZUDYXHLM-UHFFFAOYSA-N Synonym: 3-chlorothiophenol,m-chlorothiophenol,benzenethiol, 3-chloro,3-chlorobenzene-1-thiol,m-chlorobenzenethiol,benzenethiol, m-chloro,3-chloro thiophenol,3-chloro-benzenethiol,3-chloromercaptobenzene,m-chlorophenyl mercaptan PubChem CID: 16257 IUPAC Name: 3-chlorobenzenethiol SMILES: SC1=CC=CC(Cl)=C1

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Specifications

PubChem CID	16257
CAS	2037-31-2
Molecular Weight (g/mol)	144.62
MDL Number	MFCD00004839
SMILES	SC1=CC=CC(Cl)=C1
Synonym	3-chlorothiophenol,m-chlorothiophenol,benzenethiol, 3-chloro,3-chlorobenzene-1-thiol,m-chlorobenzenethiol,benzenethiol, m-chloro,3-chloro thiophenol,3-chloro-benzenethiol,3-chloromercaptobenzene,m-chlorophenyl mercaptan
IUPAC Name	3-chlorobenzenethiol
InChI Key	CQJDYPZUDYXHLM-UHFFFAOYSA-N
Molecular Formula	C6H5ClS

2-Hydroxythiophenol, 97%, Thermo Scientific Chemicals

CAS: 1121-24-0 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00040447 InChI Key: VMKYTRPNOVFCGZ-UHFFFAOYSA-N Synonym: 2-hydroxythiophenol,2-mercaptophenol,o-mercaptophenol,phenol, 2-mercapto,2-hydroxy thiophenol,2-hydroxybenzenethiol,o-hydroxythiophenol,o-hydroxybenzenothiol,2-hydroxybenzenothiol,mercaptophenol PubChem CID: 70718 IUPAC Name: 2-sulfanylphenol SMILES: C1=CC=C(C(=C1)O)S

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Specifications

PubChem CID	70718
CAS	1121-24-0
Molecular Weight (g/mol)	126.173
MDL Number	MFCD00040447
SMILES	C1=CC=C(C(=C1)O)S
Synonym	2-hydroxythiophenol,2-mercaptophenol,o-mercaptophenol,phenol, 2-mercapto,2-hydroxy thiophenol,2-hydroxybenzenethiol,o-hydroxythiophenol,o-hydroxybenzenothiol,2-hydroxybenzenothiol,mercaptophenol
IUPAC Name	2-sulfanylphenol
InChI Key	VMKYTRPNOVFCGZ-UHFFFAOYSA-N
Molecular Formula	C6H6OS

4-Fluorothiophenol, 97%

CAS: 371-42-6 Molecular Formula: C6H5FS Molecular Weight (g/mol): 128.164 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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Specifications

PubChem CID	67789
CAS	371-42-6
Molecular Weight (g/mol)	128.164
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

Thiophenols

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