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Basic information
- CAS
168279-58-1- Standard SMILES
CSc1sc(C(=O)O)c2c1C(=O)CCC2- InChIKey
YUEPFPUBEDTMTC-UHFFFAOYSA-N- Molecular formula
- C10H10O3S2
- Average molar mass
- 242.321 g/mol
- Monoisotopic mass
- 242.00713618
Names & identifiers
- Preferred name
- 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid
- IUPAC
- 3-(Methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
- English name
- 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]-THIOPHENE-1-CARBOXYLIC ACID
- Molecular formula
- C10H10O3S2
- Molecular weight
- 242.31
Names & synonyms
3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]-THIOPHENE-1-CARBOXYLIC ACIDBenzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-3-(Methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2- benzothiophene-1-carboxylic acid
Database identifiers
- CAS
168279-58-1- PubChem CID
- 658390
- DTXSID
DTXSID80349722- ChEMBL
CHEMBL132222
Properties
Physicochemical properties
- Boiling point
- 455.6 · 455.6±45.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 3.24 · 3.24±0.20(Predicted)
Chemistry & industry
Suppliers3 total
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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