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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Specifications

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

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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Specifications

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

1,3-Benzenedithiol, 95%

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Specifications

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

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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Specifications

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

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-Bromothiophenol, 98%

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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Specifications

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

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

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

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Specifications

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

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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Specifications

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

(2,6-Dichlorophenylthio)acetic acid, 99%

CAS: 21248-45-3 Molecular Formula: C8H5Cl2O2S Molecular Weight (g/mol): 236.09 MDL Number: MFCD00052108 InChI Key: URNRRSJGOOTQBO-UHFFFAOYSA-M Synonym: 2,6-dichlorophenylthio acetic acid,2-2,6-dichlorophenyl thio acetic acid,2,6-dichlorophenyl thio acetic acid,2,6-dichlorophenyl sulfanyl acetic acid,2-2,6-dichlorophenyl sulfanylacetic acid,acmc-1cg2g,2,6-dichlorothiophenoxyacetic acid,2-2,6-dichlorophenylthio acetic acid,2-2,6-dichlorophenyl sulfanyl acetic acid PubChem CID: 1810591 IUPAC Name: 2-(2,6-dichlorophenyl)sulfanylacetic acid SMILES: [O-]C(=O)CSC1=C(Cl)C=CC=C1Cl

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Specifications

PubChem CID	1810591
CAS	21248-45-3
Molecular Weight (g/mol)	236.09
MDL Number	MFCD00052108
SMILES	[O-]C(=O)CSC1=C(Cl)C=CC=C1Cl
Synonym	2,6-dichlorophenylthio acetic acid,2-2,6-dichlorophenyl thio acetic acid,2,6-dichlorophenyl thio acetic acid,2,6-dichlorophenyl sulfanyl acetic acid,2-2,6-dichlorophenyl sulfanylacetic acid,acmc-1cg2g,2,6-dichlorothiophenoxyacetic acid,2-2,6-dichlorophenylthio acetic acid,2-2,6-dichlorophenyl sulfanyl acetic acid
IUPAC Name	2-(2,6-dichlorophenyl)sulfanylacetic acid
InChI Key	URNRRSJGOOTQBO-UHFFFAOYSA-M
Molecular Formula	C8H5Cl2O2S

3-Chloro-4-fluorothiophenol, 97%

CAS: 60811-23-6 Molecular Formula: C6H3ClFS Molecular Weight (g/mol): 161.60 MDL Number: MFCD00052938 InChI Key: SFSHSIFYTWIGSF-UHFFFAOYSA-M Synonym: 3-chloro-4-fluorothiophenol,3-chloro-4-fluorobenzene-1-thiol,3-chloro-4-fluoro-benzenethiol,pubchem2857,acmc-209wz2,3-chloro-4-flurothiophenol,benzenethiol, 3-chloro-4-fluoro PubChem CID: 2734197 IUPAC Name: 3-chloro-4-fluorobenzenethiol SMILES: FC1=CC=C([S-])C=C1Cl

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Specifications

PubChem CID	2734197
CAS	60811-23-6
Molecular Weight (g/mol)	161.60
MDL Number	MFCD00052938
SMILES	FC1=CC=C([S-])C=C1Cl
Synonym	3-chloro-4-fluorothiophenol,3-chloro-4-fluorobenzene-1-thiol,3-chloro-4-fluoro-benzenethiol,pubchem2857,acmc-209wz2,3-chloro-4-flurothiophenol,benzenethiol, 3-chloro-4-fluoro
IUPAC Name	3-chloro-4-fluorobenzenethiol
InChI Key	SFSHSIFYTWIGSF-UHFFFAOYSA-M
Molecular Formula	C6H3ClFS

Thiophenols

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