Molecule ID: 85519

IUPAC Name: 3-methylsulfanylpropyl acetate

Description: The molecule is an acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid. It has a role as a metabolite. It is an acetate ester and a methyl sulfide. It derives from a 3-methylthiopropanol.

SMILES: CSCCCOC(C)=O

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

InChI: InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 51.6 Ų
- LogP: 1.1