Molecule ID: 122164864

IUPAC Name: (Z)-2-(2-methylsulfanylethyl)but-2-enedioic acid

Description: The molecule is a 2-(omega-methylthio)alkylmaleic acid in which the 2-alkyl group is specified as 2-methylthioethyl. It is a conjugate acid of a 2-(2-methylthio)ethylmaleate(2-).

SMILES: CSCC/C(=C/C(=O)O)C(=O)O

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

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)/b5-4-

Molecular Properties:
- Polar Surface Area: 99.9 Ų
- LogP: 0.5