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

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

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

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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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

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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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

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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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

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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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

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

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

(Phenylthio)acetonitrile, 98%

CAS: 5219-61-4 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.21 MDL Number: MFCD00019831 InChI Key: QMJWPWCKRKHUNY-UHFFFAOYSA-N Synonym: phenylthio acetonitrile,phenylthioacetonitrile,2-phenylthio acetonitrile,acetonitrile, phenylthio,phenylmercaptoacetonitrile,cyanomethyl phenyl sulfide,2-phenylsulfanyl acetonitrile,2-phenylthioethanenitrile,acmc-209ky7,phenylmercapto acetonitrile PubChem CID: 78891 IUPAC Name: 2-phenylsulfanylacetonitrile SMILES: N#CCSC1=CC=CC=C1

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Specifications

PubChem CID	78891
CAS	5219-61-4
Molecular Weight (g/mol)	149.21
MDL Number	MFCD00019831
SMILES	N#CCSC1=CC=CC=C1
Synonym	phenylthio acetonitrile,phenylthioacetonitrile,2-phenylthio acetonitrile,acetonitrile, phenylthio,phenylmercaptoacetonitrile,cyanomethyl phenyl sulfide,2-phenylsulfanyl acetonitrile,2-phenylthioethanenitrile,acmc-209ky7,phenylmercapto acetonitrile
IUPAC Name	2-phenylsulfanylacetonitrile
InChI Key	QMJWPWCKRKHUNY-UHFFFAOYSA-N
Molecular Formula	C8H7NS

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

4-(Trifluoromethoxy)thiophenol, 95%

CAS: 169685-29-4 Molecular Formula: C7H5F3OS Molecular Weight (g/mol): 194.171 MDL Number: MFCD00052312 InChI Key: JHVNSRJPBXPZJU-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy thiophenol,4-trifluoromethoxy benzenethiol,4-trifluoromethoxy benzene-1-thiol,4-trifluoromethoxythiophenol,benzenethiol, 4-trifluoromethoxy,pubchem15268,acmc-1bxy9,4-trifluoromethoxy-thiophenol,p-trifluoromethoxybenzenethiol PubChem CID: 2777360 IUPAC Name: 4-(trifluoromethoxy)benzenethiol SMILES: C1=CC(=CC=C1OC(F)(F)F)S

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Specifications

PubChem CID	2777360
CAS	169685-29-4
Molecular Weight (g/mol)	194.171
MDL Number	MFCD00052312
SMILES	C1=CC(=CC=C1OC(F)(F)F)S
Synonym	4-trifluoromethoxy thiophenol,4-trifluoromethoxy benzenethiol,4-trifluoromethoxy benzene-1-thiol,4-trifluoromethoxythiophenol,benzenethiol, 4-trifluoromethoxy,pubchem15268,acmc-1bxy9,4-trifluoromethoxy-thiophenol,p-trifluoromethoxybenzenethiol
IUPAC Name	4-(trifluoromethoxy)benzenethiol
InChI Key	JHVNSRJPBXPZJU-UHFFFAOYSA-N
Molecular Formula	C7H5F3OS

Thiophenols

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