Molecule ID: 6992044

IUPAC Name: 3-methylsulfanylpropanoate

Description: The molecule is a thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid. It has a role as a human metabolite. It derives from a propionate. It is a conjugate base of a 3-(methylthio)propionic acid.

SMILES: CSCCC(=O)[O-]

SELFIES: [C][S][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)/p-1

Molecular Properties:
- Polar Surface Area: 65.4 Ų
- LogP: 1.0