Molecule ID: 25203497

IUPAC Name: 2-hydroxy-3-(2-methylsulfanylethyl)butanedioic acid

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

SMILES: CSCCC(C(=O)O)C(O)C(=O)O

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

InChI: InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -0.3