Molecule ID: 21999424

IUPAC Name: 2-pentylsulfanylacetic acid

Description: The molecule is a C7 sulfur-containing carboxylic acid. It is a sulfur-containing carboxylic acid and a carboxylic acid. It derives from an octanoic acid.

SMILES: CCCCCSCC(=O)O

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

InChI: InChI=1S/C7H14O2S/c1-2-3-4-5-10-6-7(8)9/h2-6H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 62.6 Ų
- LogP: 2.3