Molecule ID: 445125

IUPAC Name: 5-[(3S)-dithiolan-3-yl]pentanoic acid

Description: The molecule is the (S)-enantiomer of lipoic acid. Not found in nature, it may exert detrimental effects on biosystems. It is a lipoic acid, a heterocyclic fatty acid, a thia fatty acid and a member of dithiolanes. It derives from an octanoic acid. It is an enantiomer of a (R)-lipoic acid.

SMILES: O=C(O)CCCC[C@H]1CCSS1

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C@H1][C][C][S][S][Ring1][Branch1]

InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 87.9 Ų
- LogP: 1.7