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

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

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

p-Toluenethiol, 98%

CAS: 106-45-6 Molecular Formula: C₇H₈S Molecular Weight (g/mol): 124.2 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)	124.2
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

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

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

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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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

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-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

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

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

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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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

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

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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Specifications

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

1-Bromo-2-(trifluoromethylthio)benzene, 97%

CAS: 1644-72-0 Molecular Formula: C7H4BrF3S Molecular Weight (g/mol): 257.07 MDL Number: MFCD00236347 InChI Key: IWRJVJJQWGZKMT-UHFFFAOYSA-N Synonym: 2-trifluoromethylthio bromobenzene,1-bromo-2-trifluoromethylthio benzene,1-bromo-2-trifluoromethyl sulfanyl benzene,2-bromophenyl trifluoromethyl sulfane,2-bromophenyl trifluoromethyl sulphide,pubchem20490,1-bromo-2-trifluoromethylsulfanyl benzene,1-trifluoromethylthio-2-bromobenzene,2-bromo-1-trifluoromethylthio benzene,2-bromophenyl trifluoromethyl sulfide PubChem CID: 2779338 IUPAC Name: 1-bromo-2-(trifluoromethylsulfanyl)benzene SMILES: FC(F)(F)SC1=CC=CC=C1Br

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Specifications

PubChem CID	2779338
CAS	1644-72-0
Molecular Weight (g/mol)	257.07
MDL Number	MFCD00236347
SMILES	FC(F)(F)SC1=CC=CC=C1Br
Synonym	2-trifluoromethylthio bromobenzene,1-bromo-2-trifluoromethylthio benzene,1-bromo-2-trifluoromethyl sulfanyl benzene,2-bromophenyl trifluoromethyl sulfane,2-bromophenyl trifluoromethyl sulphide,pubchem20490,1-bromo-2-trifluoromethylsulfanyl benzene,1-trifluoromethylthio-2-bromobenzene,2-bromo-1-trifluoromethylthio benzene,2-bromophenyl trifluoromethyl sulfide
IUPAC Name	1-bromo-2-(trifluoromethylsulfanyl)benzene
InChI Key	IWRJVJJQWGZKMT-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3S

Thiophenols

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