Molecule ID: 122164866

IUPAC Name: (Z)-2-(3-methylsulfanylpropyl)but-2-enedioic acid

Description: The molecule is a 2-(omega-methylthio)alkylmaleic acid in which the 2-alkyl group is specified as 3-(methylthio)propyl. It is a conjugate acid of a 2-(2-methylthio)propylmaleate(2-).

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][C][=Branch1][C][=O][O]

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)/b6-5-

Molecular Properties:
- Polar Surface Area: 99.9 Ų
- LogP: 0.8