Molecule ID: 98

IUPAC Name: 2-oxo-3-sulfanylpropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3. It has a role as a human metabolite, an Escherichia coli metabolite, a mouse metabolite and an antidote to cyanide poisoning. It is a 2-oxo monocarboxylic acid and a thiol. It derives from a pyruvic acid. It is a conjugate acid of a 3-mercaptopyruvate.

SMILES: O=C(O)C(=O)CS

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][S]

InChI: InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)

Molecular Properties:
- Polar Surface Area: 55.4 Ų
- LogP: 0.0