Molecule ID: 421

IUPAC Name: 6,8-bis(sulfanyl)octanoic acid

Description: The molecule is a thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. It has a role as a neuroprotective agent, an antioxidant and a human metabolite. It derives from an octanoic acid. It is a conjugate acid of a dihydrolipoate.

SMILES: O=C(O)CCCCC(S)CCS

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

InChI: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)

Molecular Properties:
- Polar Surface Area: 39.3 Ų
- LogP: 1.8