Molecule ID: 440275

IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position. It is a 2-oxo monocarboxylic acid, an aryl sulfide and an organobromine compound. It derives from a pyruvic acid and a bromobenzene. It is a conjugate acid of a (4-bromophenylsulfanyl)pyruvate.

SMILES: O=C(O)C(=O)CSc1ccc(Br)cc1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: 2.6