Molecule ID: 75551

IUPAC Name: 2-methylsulfanylacetic acid

Description: The molecule is a sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent. It has a role as a xenobiotic metabolite. It is a sulfur-containing carboxylic acid, a monocarboxylic acid and a methyl sulfide. It derives from a thioglycolic acid. It is a conjugate acid of a (methylthio)acetate.

SMILES: CSCC(=O)O

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

InChI: InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)

Molecular Properties:
- Polar Surface Area: 62.6 Ų
- LogP: 0.5