S-carboxymethyl-thiopyruvate
3-(carboxymethylsulfanyl)-2-oxopropanoic acid
Also Known As: S-Carboxymethyl-thiopyruvate|2-Oxo-4-thiaadipic acid|3-[(Carboxymethyl)sulfanyl]-2-Oxopropanoic Acid|Homoisocitrate thia analogue, 4|3-(carboxymethylsulfanyl)-2-oxopropanoic acid|3-(carboxymethylthio)-2-oxopropanoic acid|3-(carboxymethylthio)-2-oxopropanoicacid|propanoic acid, 3-[(carboxymethyl)thio]-2-oxo-|3-((carboxymethyl)thio)-2-oxopropanoic acid|Propanoic acid, 3-((carboxymethyl)thio)-2-oxo-|XYN
| Molecular Formula | C5H6O5S |
|---|---|
| Molecular Weight | 177.99359 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.99359 |
| Monoisotopic Mass | 177.99359 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5462-94-2 |
|---|---|
| SMILES | C(C(=O)C(=O)O)SCC(=O)O |
| InChIKey | FDUKYMHTXNDQPD-UHFFFAOYSA-N |
Product Overview
S-carboxymethyl-thiopyruvate (CAS 5462-94-2), with molecular formula C5H6O5S and molecular weight 177.99359 g/mol. IUPAC: 3-(carboxymethylsulfanyl)-2-oxopropanoic acid.
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