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

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

Thiophenol, 99+%

CAS: 108-98-5 Molecular Formula: C6H6S Molecular Weight (g/mol): 110.174 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)	110.174
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

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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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

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

Thiophenol, 99%

CAS: 108-98-5 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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Specifications

PubChem CID	7969
CAS	108-98-5
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

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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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

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

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-(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

4-Chlorothioanisole, 98%

CAS: 123-09-1 Molecular Formula: C7H7ClS Molecular Weight (g/mol): 158.643 MDL Number: MFCD00013643 InChI Key: KIQQUVJOLVCZKG-UHFFFAOYSA-N Synonym: 4-chlorothioanisole,4-chlorophenyl methyl sulfide,p-chlorothioanisole,1-chloro-4-methylthio benzene,p-chlorophenyl methyl sulfide,methyl 4-chlorophenyl sulfide,benzene, 1-chloro-4-methylthio,p-chlophenyl methyl sulfide,1-chloro-4-methylsulfanyl benzene,4-chloro thioanisole PubChem CID: 31243 IUPAC Name: 1-chloro-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C=C1)Cl

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PubChem CID	31243
CAS	123-09-1
Molecular Weight (g/mol)	158.643
MDL Number	MFCD00013643
SMILES	CSC1=CC=C(C=C1)Cl
Synonym	4-chlorothioanisole,4-chlorophenyl methyl sulfide,p-chlorothioanisole,1-chloro-4-methylthio benzene,p-chlorophenyl methyl sulfide,methyl 4-chlorophenyl sulfide,benzene, 1-chloro-4-methylthio,p-chlophenyl methyl sulfide,1-chloro-4-methylsulfanyl benzene,4-chloro thioanisole
IUPAC Name	1-chloro-4-methylsulfanylbenzene
InChI Key	KIQQUVJOLVCZKG-UHFFFAOYSA-N
Molecular Formula	C7H7ClS

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-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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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

4-(Methylthio)aniline, 98%

CAS: 104-96-1 Molecular Formula: C7H9NS Molecular Weight (g/mol): 139.22 MDL Number: MFCD00007889 InChI Key: YKFROQCFVXOUPW-UHFFFAOYSA-N Synonym: 4-methylthio aniline,4-methylmercapto aniline,4-aminothioanisole,p-thioanisidine,benzenamine, 4-methylthio,p-methylthio aniline,p-aminothioanisole,p-thiomethoxyaniline,4-methylsulfanyl aniline,4-methylthio benzenamine PubChem CID: 66038 IUPAC Name: 4-methylsulfanylaniline SMILES: CSC1=CC=C(N)C=C1

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PubChem CID	66038
CAS	104-96-1
Molecular Weight (g/mol)	139.22
MDL Number	MFCD00007889
SMILES	CSC1=CC=C(N)C=C1
Synonym	4-methylthio aniline,4-methylmercapto aniline,4-aminothioanisole,p-thioanisidine,benzenamine, 4-methylthio,p-methylthio aniline,p-aminothioanisole,p-thiomethoxyaniline,4-methylsulfanyl aniline,4-methylthio benzenamine
IUPAC Name	4-methylsulfanylaniline
InChI Key	YKFROQCFVXOUPW-UHFFFAOYSA-N
Molecular Formula	C7H9NS

1,4-Benzenedithiol, 97%

CAS: 624-39-5 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00142541 InChI Key: WYLQRHZSKIDFEP-UHFFFAOYSA-N Synonym: 1,4-benzenedithiol,dithiohydroquinone,1,4-dimercaptobenzene,4-mercaptothiophenol,1,4-benzene dithiol,pubchem6866,acmc-1b45q,benzene-1,4-dithiol gc PubChem CID: 4691729 IUPAC Name: benzene-1,4-dithiol SMILES: SC1=CC=C(S)C=C1

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Specifications

PubChem CID	4691729
CAS	624-39-5
Molecular Weight (g/mol)	142.23
MDL Number	MFCD00142541
SMILES	SC1=CC=C(S)C=C1
Synonym	1,4-benzenedithiol,dithiohydroquinone,1,4-dimercaptobenzene,4-mercaptothiophenol,1,4-benzene dithiol,pubchem6866,acmc-1b45q,benzene-1,4-dithiol gc
IUPAC Name	benzene-1,4-dithiol
InChI Key	WYLQRHZSKIDFEP-UHFFFAOYSA-N
Molecular Formula	C6H6S2

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