Sulfanylbenzoic acids and derivatives

Sulfanylbenzoic acids and derivatives
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CAS | 4892-02-8 |
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MDL Number | MFCD00060678 |
Thermo Scientific Alfa Aesar Thimerosal
CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.81 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 SMILES: [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
PubChem CID | 16684434 |
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CAS | 54-64-8 |
Molecular Weight (g/mol) | 404.81 |
ChEBI | CHEBI:9546 |
MDL Number | MFCD00013062 |
SMILES | [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O |
Synonym | thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate |
InChI Key | RTKIYNMVFMVABJ-UHFFFAOYSA-L |
Molecular Formula | C9H9HgNaO2S |
Thermo Scientific Acros 4-Mercaptobenzoic acid, 90%
CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=C(S)C=C1
PubChem CID | 95738 |
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CAS | 1074-36-8 |
Molecular Weight (g/mol) | 154.18 |
MDL Number | MFCD00016617 |
SMILES | OC(=O)C1=CC=C(S)C=C1 |
Synonym | 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol |
IUPAC Name | 4-sulfanylbenzoic acid |
InChI Key | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
Molecular Formula | C7H6O2S |
Thermo Scientific Acros 1,1-Dichlorodimethyl ether, 97%
CAS: 4885-02-3 Molecular Formula: C2H4Cl2O Molecular Weight (g/mol): 114.96 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMILES: COC(Cl)Cl
CAS | 4885-02-3 |
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Molecular Weight (g/mol) | 114.96 |
MDL Number | MFCD00000828 |
SMILES | COC(Cl)Cl |
InChI Key | GRTGGSXWHGKRSB-UHFFFAOYSA-N |
Molecular Formula | C2H4Cl2O |
Thermo Scientific Alfa Aesar 3-(Trifluoromethylthio)benzoic acid, 97%
CAS: 946-65-6 Molecular Formula: C8H4F3O2S Molecular Weight (g/mol): 221.17 MDL Number: MFCD00236337 InChI Key: IVGAPIVNQABETQ-UHFFFAOYSA-M Synonym: 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide PubChem CID: 688330 IUPAC Name: 3-(trifluoromethylsulfanyl)benzoic acid SMILES: [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1
PubChem CID | 688330 |
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CAS | 946-65-6 |
Molecular Weight (g/mol) | 221.17 |
MDL Number | MFCD00236337 |
SMILES | [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1 |
Synonym | 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide |
IUPAC Name | 3-(trifluoromethylsulfanyl)benzoic acid |
InChI Key | IVGAPIVNQABETQ-UHFFFAOYSA-M |
Molecular Formula | C8H4F3O2S |
Thermo Scientific Alfa Aesar Methyl 2-(methylthio)benzoate, 98%
CAS: 3704-28-7 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00068039 InChI Key: CPQDZXPLQXZJGF-UHFFFAOYSA-N PubChem CID: 279586 IUPAC Name: methyl 2-methylsulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1SC
PubChem CID | 279586 |
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CAS | 3704-28-7 |
Molecular Weight (g/mol) | 182.237 |
MDL Number | MFCD00068039 |
SMILES | COC(=O)C1=CC=CC=C1SC |
IUPAC Name | methyl 2-methylsulfanylbenzoate |
InChI Key | CPQDZXPLQXZJGF-UHFFFAOYSA-N |
Molecular Formula | C9H10O2S |
Thermo Scientific Alfa Aesar 4-(Methylthio)benzoic acid, 97%
CAS: 13205-48-6 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00002555 InChI Key: KWHCPERWLHBLOT-UHFFFAOYSA-N Synonym: 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa PubChem CID: 83230 IUPAC Name: 4-methylsulfanylbenzoic acid SMILES: CSC1=CC=C(C=C1)C(O)=O
PubChem CID | 83230 |
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CAS | 13205-48-6 |
Molecular Weight (g/mol) | 168.21 |
MDL Number | MFCD00002555 |
SMILES | CSC1=CC=C(C=C1)C(O)=O |
Synonym | 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa |
IUPAC Name | 4-methylsulfanylbenzoic acid |
InChI Key | KWHCPERWLHBLOT-UHFFFAOYSA-N |
Molecular Formula | C8H8O2S |
Thermo Scientific Acros Methyl thiosalicylate, 97%
CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.22 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S
PubChem CID | 21009 |
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CAS | 4892-02-8 |
Molecular Weight (g/mol) | 168.22 |
MDL Number | MFCD00060678 |
SMILES | COC(=O)C1=CC=CC=C1S |
Synonym | methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester |
IUPAC Name | methyl 2-sulfanylbenzoate |
InChI Key | BAQGCWNPCFABAY-UHFFFAOYSA-N |
Molecular Formula | C8H8O2S |
Thermo Scientific Alfa Aesar 3-(Methylthio)benzoic acid, 97%
CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
PubChem CID | 220329 |
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CAS | 825-99-0 |
Molecular Weight (g/mol) | 168.21 |
MDL Number | MFCD00156993 |
SMILES | CSC1=CC=CC(=C1)C(=O)O |
Synonym | 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 |
IUPAC Name | 3-methylsulfanylbenzoic acid |
InChI Key | PZGADOOBMVLBJE-UHFFFAOYSA-N |
Molecular Formula | C8H8O2S |
Thermo Scientific Alfa Aesar 2-(Methylthio)benzoic acid, 98+%
CAS: 3724-10-5 MDL Number: MFCD00029934
CAS | 3724-10-5 |
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MDL Number | MFCD00029934 |
Tocris Zebularine, Tocris Bioscience™
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Thermo Scientific Alfa Aesar 3-(Pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™
CAS: 401892-81-7 Molecular Formula: C7H4ClF5OS Molecular Weight (g/mol): 266.61 MDL Number: MFCD03788522 InChI Key: IDHIADOQLRPGHK-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride PubChem CID: 2779213 IUPAC Name: 3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O
PubChem CID | 2779213 |
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CAS | 401892-81-7 |
Molecular Weight (g/mol) | 266.61 |
MDL Number | MFCD03788522 |
SMILES | FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O |
Synonym | 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride |
IUPAC Name | 3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride |
InChI Key | IDHIADOQLRPGHK-UHFFFAOYSA-N |
Molecular Formula | C7H4ClF5OS |
Thermo Scientific Alfa Aesar 3-Chloro-5-(pentafluorothio)benzamide, 97%, Thermo Scientific™
CAS: 1240257-35-5 Molecular Formula: C7H5ClF5NOS Molecular Weight (g/mol): 281.63 MDL Number: MFCD16652452 InChI Key: SCYISRHUJQHNFD-UHFFFAOYSA-N Synonym: 3-chloro-5-pentafluorosulfur benzamide,3-chloro-5-pentafluoro-??-sulfanyl benzamide,3-chloro-5-pentafluorothio benzamide PubChem CID: 66523520 IUPAC Name: 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide SMILES: NC(=O)C1=CC(=CC(Cl)=C1)S(F)(F)(F)(F)F
PubChem CID | 66523520 |
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CAS | 1240257-35-5 |
Molecular Weight (g/mol) | 281.63 |
MDL Number | MFCD16652452 |
SMILES | NC(=O)C1=CC(=CC(Cl)=C1)S(F)(F)(F)(F)F |
Synonym | 3-chloro-5-pentafluorosulfur benzamide,3-chloro-5-pentafluoro-??-sulfanyl benzamide,3-chloro-5-pentafluorothio benzamide |
IUPAC Name | 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide |
InChI Key | SCYISRHUJQHNFD-UHFFFAOYSA-N |
Molecular Formula | C7H5ClF5NOS |
Thermo Scientific Alfa Aesar 3-Chloro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™
CAS: 1448317-67-6 Molecular Formula: C7H4ClF5O2S Molecular Weight (g/mol): 282.609 MDL Number: MFCD16652415 InChI Key: QEUCPMZEYUIRBW-UHFFFAOYSA-N Synonym: 3-chloro-5-pentafluorosulfur benzoic acid,3-chloro-5-pentafluoro-??-sulfanyl benzoic acid,3-chloro-5-pentafluorothio benzoic acid,3-chloro-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 66523456 IUPAC Name: 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=C(C=C(C=C1S(F)(F)(F)(F)F)Cl)C(=O)O
PubChem CID | 66523456 |
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CAS | 1448317-67-6 |
Molecular Weight (g/mol) | 282.609 |
MDL Number | MFCD16652415 |
SMILES | C1=C(C=C(C=C1S(F)(F)(F)(F)F)Cl)C(=O)O |
Synonym | 3-chloro-5-pentafluorosulfur benzoic acid,3-chloro-5-pentafluoro-??-sulfanyl benzoic acid,3-chloro-5-pentafluorothio benzoic acid,3-chloro-5-pentafluoro-lambda6-sulphanyl benzoic acid |
IUPAC Name | 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid |
InChI Key | QEUCPMZEYUIRBW-UHFFFAOYSA-N |
Molecular Formula | C7H4ClF5O2S |
Thermo Scientific Alfa Aesar 3-Fluoro-5-(pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™
CAS: 1240256-92-1 Molecular Formula: C7H3ClF6OS Molecular Weight (g/mol): 284.60 MDL Number: MFCD16652427 InChI Key: RCKDILSECAWCTQ-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzoyl chloride,3-fluoro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-fluoro-5-pentafluorothio benzoyl chloride PubChem CID: 66523468 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FC1=CC(=CC(=C1)C(Cl)=O)S(F)(F)(F)(F)F
PubChem CID | 66523468 |
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CAS | 1240256-92-1 |
Molecular Weight (g/mol) | 284.60 |
MDL Number | MFCD16652427 |
SMILES | FC1=CC(=CC(=C1)C(Cl)=O)S(F)(F)(F)(F)F |
Synonym | 3-fluoro-5-pentafluorosulfur benzoyl chloride,3-fluoro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-fluoro-5-pentafluorothio benzoyl chloride |
IUPAC Name | 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride |
InChI Key | RCKDILSECAWCTQ-UHFFFAOYSA-N |
Molecular Formula | C7H3ClF6OS |