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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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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

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
3

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

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

2,4-Dichlorothiophenol, 97%

CAS: 1122-41-4 Molecular Formula: C6H4Cl2S Molecular Weight (g/mol): 179.058 MDL Number: MFCD00041421 InChI Key: FGBVJFREPSJSNG-UHFFFAOYSA-N Synonym: 2,4-dichlorothiophenol,2,4-dichlorobenzene-1-thiol,benzenethiol, 2,4-dichloro,2,4-dichloro thiophenol,pubchem6798,2,4 dichlorothiophenol,acmc-1buvb,2,4-dichlorothio-phenol,2,4-dichloro-benzenethiol,# PubChem CID: 70730 IUPAC Name: 2,4-dichlorobenzenethiol SMILES: C1=CC(=C(C=C1Cl)Cl)S

PubChem CID 70730
CAS 1122-41-4
Molecular Weight (g/mol) 179.058
MDL Number MFCD00041421
SMILES C1=CC(=C(C=C1Cl)Cl)S
Synonym 2,4-dichlorothiophenol,2,4-dichlorobenzene-1-thiol,benzenethiol, 2,4-dichloro,2,4-dichloro thiophenol,pubchem6798,2,4 dichlorothiophenol,acmc-1buvb,2,4-dichlorothio-phenol,2,4-dichloro-benzenethiol,#
IUPAC Name 2,4-dichlorobenzenethiol
InChI Key FGBVJFREPSJSNG-UHFFFAOYSA-N
Molecular Formula C6H4Cl2S
5

1,2-Benzenedithiol, 96%

CAS: 17534-15-5 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004835 InChI Key: JRNVQLOKVMWBFR-UHFFFAOYSA-N Synonym: 1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol PubChem CID: 69370 IUPAC Name: benzene-1,2-dithiol SMILES: SC1=C(S)C=CC=C1

PubChem CID 69370
CAS 17534-15-5
Molecular Weight (g/mol) 142.23
MDL Number MFCD00004835
SMILES SC1=C(S)C=CC=C1
Synonym 1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol
IUPAC Name benzene-1,2-dithiol
InChI Key JRNVQLOKVMWBFR-UHFFFAOYSA-N
Molecular Formula C6H6S2
6

Thioanisole, 99%

CAS: 100-68-5 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 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

PubChem CID 7520
CAS 100-68-5
Molecular Weight (g/mol) 124.201
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
7

2,4,5-Trichlorothiophenol, 97%

CAS: 3773-14-6 Molecular Formula: C6H3Cl3S Molecular Weight (g/mol): 213.5 MDL Number: MFCD00014447 InChI Key: JARIALSGFXECCH-UHFFFAOYSA-N Synonym: 2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine PubChem CID: 19597 IUPAC Name: 2,4,5-trichlorobenzenethiol SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S

PubChem CID 19597
CAS 3773-14-6
Molecular Weight (g/mol) 213.5
MDL Number MFCD00014447
SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)S
Synonym 2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine
IUPAC Name 2,4,5-trichlorobenzenethiol
InChI Key JARIALSGFXECCH-UHFFFAOYSA-N
Molecular Formula C6H3Cl3S
8

2-Chloro-4-fluorothiophenol, 97%

CAS: 175277-99-3 Molecular Formula: C6H4ClFS Molecular Weight (g/mol): 162.606 MDL Number: MFCD00052936 InChI Key: KUAPPJSILOMQPC-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorothiophenol,2-chloro-4-fluorobenzene-1-thiol,benzenethiol,2-chloro-4-fluoro,2-chloro-4-fluoro-benzenethiol,benzenethiol, 2-chloro-4-fluoro,pubchem2850,acmc-1caad,2-chloro-4-fluoro-thiophenol,4-fluoro-2-chloro-benzenethiol,# PubChem CID: 519446 IUPAC Name: 2-chloro-4-fluorobenzenethiol SMILES: C1=CC(=C(C=C1F)Cl)S

PubChem CID 519446
CAS 175277-99-3
Molecular Weight (g/mol) 162.606
MDL Number MFCD00052936
SMILES C1=CC(=C(C=C1F)Cl)S
Synonym 2-chloro-4-fluorothiophenol,2-chloro-4-fluorobenzene-1-thiol,benzenethiol,2-chloro-4-fluoro,2-chloro-4-fluoro-benzenethiol,benzenethiol, 2-chloro-4-fluoro,pubchem2850,acmc-1caad,2-chloro-4-fluoro-thiophenol,4-fluoro-2-chloro-benzenethiol,#
IUPAC Name 2-chloro-4-fluorobenzenethiol
InChI Key KUAPPJSILOMQPC-UHFFFAOYSA-N
Molecular Formula C6H4ClFS
9

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

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
10

1,2-Benzenedithiol, 97%

CAS: 17534-15-5 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004835 InChI Key: JRNVQLOKVMWBFR-UHFFFAOYSA-N Synonym: 1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol PubChem CID: 69370 IUPAC Name: benzene-1,2-dithiol SMILES: SC1=C(S)C=CC=C1

PubChem CID 69370
CAS 17534-15-5
Molecular Weight (g/mol) 142.23
MDL Number MFCD00004835
SMILES SC1=C(S)C=CC=C1
Synonym 1,2-benzenedithiol,benzenedithiol,1,2-dimercaptobenzene,dithiocatechol,dimercaptobenzene,o-benzenedithiol,acmc-209e9y,1,2-benzenedithiol 9ci,benzene-1,2-dithiol
IUPAC Name benzene-1,2-dithiol
InChI Key JRNVQLOKVMWBFR-UHFFFAOYSA-N
Molecular Formula C6H6S2
11
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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

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
12

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

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
13
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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

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
14

4-Bromo-2-(trifluoromethoxy)benzene-1-thiol, ≥95%, Thermo Scientific™

CAS: 175278-15-6 Molecular Formula: C7H4BrF3OS Molecular Weight (g/mol): 273.07 MDL Number: MFCD00203474 InChI Key: WWZNHDMEBZHFTK-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethoxy thiophenol,4-bromo-2-trifluoromethoxy benzenethiol,4-bromo-2-trifluoromethoxy benzene-1-thiol,benzenethiol,4-bromo-2-trifluoromethoxy,pubchem2840,4-bromo-2-trifluoromethoxy-benzenethiol,4-bromanyl-2-trifluoromethyloxy benzenethiol PubChem CID: 2736425 IUPAC Name: 4-bromo-2-(trifluoromethoxy)benzenethiol SMILES: FC(F)(F)OC1=C(S)C=CC(Br)=C1

PubChem CID 2736425
CAS 175278-15-6
Molecular Weight (g/mol) 273.07
MDL Number MFCD00203474
SMILES FC(F)(F)OC1=C(S)C=CC(Br)=C1
Synonym 4-bromo-2-trifluoromethoxy thiophenol,4-bromo-2-trifluoromethoxy benzenethiol,4-bromo-2-trifluoromethoxy benzene-1-thiol,benzenethiol,4-bromo-2-trifluoromethoxy,pubchem2840,4-bromo-2-trifluoromethoxy-benzenethiol,4-bromanyl-2-trifluoromethyloxy benzenethiol
IUPAC Name 4-bromo-2-(trifluoromethoxy)benzenethiol
InChI Key WWZNHDMEBZHFTK-UHFFFAOYSA-N
Molecular Formula C7H4BrF3OS