Molecule ID: 122164865

IUPAC Name: (Z)-2-(3-methylsulfanylpropyl)but-2-enedioate

Description: The molecule is a 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(3-methylthiopropyl)maleic acid; major species at pH 7.3. It is a conjugate base of a 2-(2-methylthiopropyl)maleic acid.

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

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

InChI: InChI=1S/C8H12O4S/c1-13-4-2-3-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/p-2/b6-5-

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 2.1