Molecule ID: 5460324

IUPAC Name: 6,8-bis(sulfanyl)octanoate

Description: The molecule is the conjugate base of dihydrolipoic acid. It has a role as a human metabolite. It is a carboxylic acid anion and a thio fatty acid anion. It derives from an octanoate. It is a conjugate base of a dihydrolipoic acid.

SMILES: O=C([O-])CCCCC(S)CCS

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 42.1 Ų
- LogP: 2.4