Molecule ID: 10910100

IUPAC Name: methyl 3-acetylsulfanyl-2-methylpropanoate

Description: The molecule is a methyl ester derived from beta-(acetylthio)isobutyric acid. It is a methyl ester and a thioacetate ester. It derives from an isobutyric acid.

SMILES: COC(=O)C(C)CSC(C)=O

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

InChI: InChI=1S/C7H12O3S/c1-5(7(9)10-3)4-11-6(2)8/h5H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 68.7 Ų
- LogP: 1.1