Molecule ID: 122164863

IUPAC Name: (Z)-2-(2-methylsulfanylethyl)but-2-enedioate

Description: The molecule is a 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(2-methylthio)ethylmaleic acid; major species at pH 7.3. It is a conjugate base of a 2-(2-methylthio)ethylmaleic acid.

SMILES: CSCC/C(=C/C(=O)[O-])C(=O)[O-]

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

InChI: InChI=1S/C7H10O4S/c1-12-3-2-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/b5-4-

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 1.8