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

Thiophenol, 99%, AcroSeal™

CAS: 108-98-5 Formula molecolare: C₆H₆S Molecular Weight (g/mol): 110.17 Numero MDL: MFCD00004826 InChI Key: RMVRSNDYEFQCLF-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto
Numero MDL	MFCD00004826
PubChem CID	7969
Formula molecolare	C₆H₆S
CAS	108-98-5
Molecular Weight (g/mol)	110.17
ChEBI	CHEBI:48498
SMILES	C1=CC=C(C=C1)S
IUPAC Name	benzenethiol
InChI Key	RMVRSNDYEFQCLF-UHFFFAOYSA-N

p-Thiocresol, 98%

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

4-Nitrothioanisole, 98%

CAS: 701-57-5 Formula molecolare: C7H7NO2S Molecular Weight (g/mol): 169.198 Numero MDL: MFCD00010868 InChI Key: NEZGPRYOJVPJKL-UHFFFAOYSA-N Sinonimo: 4-nitrothioanisole,1-methylthio-4-nitrobenzene,methyl 4-nitrophenyl sulfide,1-methylsulfanyl-4-nitrobenzene,benzene, 1-methylthio-4-nitro,methyl 4-nitrophenyl sulphide,1-methylsulfanyl-4-nitro-benzene,pubchem10631,4-methylthio nitrobenzene PubChem CID: 96109 IUPAC Name: 1-methylsulfanyl-4-nitrobenzene SMILES: CSC1=CC=C(C=C1)[N+](=O)[O-]

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Sinonimo	4-nitrothioanisole,1-methylthio-4-nitrobenzene,methyl 4-nitrophenyl sulfide,1-methylsulfanyl-4-nitrobenzene,benzene, 1-methylthio-4-nitro,methyl 4-nitrophenyl sulphide,1-methylsulfanyl-4-nitro-benzene,pubchem10631,4-methylthio nitrobenzene
Numero MDL	MFCD00010868
PubChem CID	96109
Formula molecolare	C7H7NO2S
CAS	701-57-5
Molecular Weight (g/mol)	169.198
SMILES	CSC1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name	1-methylsulfanyl-4-nitrobenzene
InChI Key	NEZGPRYOJVPJKL-UHFFFAOYSA-N

Thiophenol, 99%

CAS: 108-98-5 Numero MDL: MFCD00004826 InChI Key: RMVRSNDYEFQCLF-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto
Numero MDL	MFCD00004826
PubChem CID	7969
CAS	108-98-5
ChEBI	CHEBI:48498
SMILES	C1=CC=C(C=C1)S
IUPAC Name	benzenethiol
InChI Key	RMVRSNDYEFQCLF-UHFFFAOYSA-N

4-Mercaptophenol, 98%

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

Pentafluorothiophenol, 97%

CAS: 771-62-0 Formula molecolare: C6HF5S Molecular Weight (g/mol): 200.13 Numero MDL: MFCD00004828 InChI Key: UVAMFBJPMUMURT-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00004828
PubChem CID	13042
Formula molecolare	C6HF5S
CAS	771-62-0
Molecular Weight (g/mol)	200.13
SMILES	FC1=C(F)C(F)=C(S)C(F)=C1F
IUPAC Name	2,3,4,5,6-pentafluorobenzenethiol
InChI Key	UVAMFBJPMUMURT-UHFFFAOYSA-N

3,4-Dimercaptotoluene, 95%

CAS: 496-74-2 Formula molecolare: C₇H₈S₂ Molecular Weight (g/mol): 156.27 Numero MDL: MFCD00004844 InChI Key: NIAAGQAEVGMHPM-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00004844
PubChem CID	10334
Formula molecolare	C₇H₈S₂
CAS	496-74-2
Molecular Weight (g/mol)	156.27
SMILES	CC1=CC(=C(C=C1)S)S
IUPAC Name	4-methylbenzene-1,2-dithiol
InChI Key	NIAAGQAEVGMHPM-UHFFFAOYSA-N

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

2-Naphthalenethiol, 98+%

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

4-Bromothioanisole, 97%

CAS: 104-95-0 Formula molecolare: C7H7BrS Molecular Weight (g/mol): 203.10 Numero MDL: MFCD00000102 InChI Key: YEUYZNNBXLMFCW-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00000102
PubChem CID	66037
Formula molecolare	C7H7BrS
CAS	104-95-0
Molecular Weight (g/mol)	203.10
SMILES	CSC1=CC=C(Br)C=C1
IUPAC Name	1-bromo-4-methylsulfanylbenzene
InChI Key	YEUYZNNBXLMFCW-UHFFFAOYSA-N

3-(Methylthio)phenyl isocyanate, 96%

CAS: 28479-19-8 Formula molecolare: C8H7NOS Molecular Weight (g/mol): 165.21 Numero MDL: MFCD00013863 InChI Key: BKJABLMNBSVKCV-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00013863
PubChem CID	141418
Formula molecolare	C8H7NOS
CAS	28479-19-8
Molecular Weight (g/mol)	165.21
SMILES	CSC1=CC=CC(=C1)N=C=O
IUPAC Name	1-isocyanato-3-methylsulfanylbenzene
InChI Key	BKJABLMNBSVKCV-UHFFFAOYSA-N

4-Bromothiophenol, 98%

CAS: 106-53-6 Formula molecolare: C6H5BrS Molecular Weight (g/mol): 189.07 Numero MDL: MFCD00004845 InChI Key: FTBCOQFMQSTCQQ-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00004845
PubChem CID	66049
Formula molecolare	C6H5BrS
CAS	106-53-6
Molecular Weight (g/mol)	189.07
SMILES	C1=CC(=CC=C1S)Br
IUPAC Name	4-bromobenzenethiol
InChI Key	FTBCOQFMQSTCQQ-UHFFFAOYSA-N

2-Amino-4-chlorothiophenol, 96%

CAS: 1004-00-8 Formula molecolare: C6H6ClNS Molecular Weight (g/mol): 159.631 Numero MDL: MFCD00792528 InChI Key: NGIRMPARLVGMPX-UHFFFAOYSA-N Sinonimo: 2-amino-4-chlorothiophenol,2-amino-4-chlorobenzene-1-thiol,2-amino-4-chloro-benzenethiol,benzenethiol, 2-amino-4-chloro,4-chloro-2-aminothiophenol,5-chloro-2-mercaptoaniline,2-amino-4-chloro thiophenol,5-chloro-2-mercaptoaniline hydrochloride,benzenethiol, 2-amino-4-chloro-, hydrochloride,pubchem5427 PubChem CID: 12000 IUPAC Name: 2-amino-4-chlorobenzenethiol SMILES: C1=CC(=C(C=C1Cl)N)S

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Sinonimo	2-amino-4-chlorothiophenol,2-amino-4-chlorobenzene-1-thiol,2-amino-4-chloro-benzenethiol,benzenethiol, 2-amino-4-chloro,4-chloro-2-aminothiophenol,5-chloro-2-mercaptoaniline,2-amino-4-chloro thiophenol,5-chloro-2-mercaptoaniline hydrochloride,benzenethiol, 2-amino-4-chloro-, hydrochloride,pubchem5427
Numero MDL	MFCD00792528
PubChem CID	12000
Formula molecolare	C6H6ClNS
CAS	1004-00-8
Molecular Weight (g/mol)	159.631
SMILES	C1=CC(=C(C=C1Cl)N)S
IUPAC Name	2-amino-4-chlorobenzenethiol
InChI Key	NGIRMPARLVGMPX-UHFFFAOYSA-N

Thioanisole, 99%

CAS: 100-68-5 Formula molecolare: C7H8S Molecular Weight (g/mol): 124.201 Numero MDL: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
Numero MDL	MFCD00008559
PubChem CID	7520
Formula molecolare	C7H8S
CAS	100-68-5
Molecular Weight (g/mol)	124.201
SMILES	CSC1=CC=CC=C1
IUPAC Name	methylsulfanylbenzene
InChI Key	HNKJADCVZUBCPG-UHFFFAOYSA-N

Thiophenols

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