Molecule ID: 61592

IUPAC Name: ethyl 3-methylsulfanylpropanoate

Description: The molecule is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol. It has a role as a metabolite. It is a carboxylic ester and an organosulfur compound. It derives from a 3-(methylthio)propionic acid.

SMILES: CCOC(=O)CCSC

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

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

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