Molecule ID: 440312

IUPAC Name: 3-sulfanyl-2-(sulfanylmethyl)propanoic acid

Description: The molecule is a sulfur-containing carboxylic acid consisting of isobutyric acid having mercapto substituents on both beta-carbons. It is a dithiol and a sulfur-containing carboxylic acid. It derives from a propionic acid. It is a conjugate acid of a 3-mercapto-2-mercaptomethylpropanoate(1-).

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

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

InChI: InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)

Molecular Properties:
- Polar Surface Area: 39.3 Ų
- LogP: 0.3