Molecule ID: 44237293

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

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

SMILES: CSCCCC(C(=O)O)C(O)C(=O)O

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

InChI: InChI=1S/C8H14O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 0.1