Molecule ID: 518810

IUPAC Name: 3-sulfanylhexyl acetate

Description: The molecule is an acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. It has a role as a Saccharomyces cerevisiae metabolite. It is an acetate ester and an alkanethiol. It derives from a 3-mercaptohexanol.

SMILES: CCCC(S)CCOC(C)=O

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

InChI: InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 27.3 Ų
- LogP: 2.1