CAS 122305-66-2

2-[(4-chlorobenzyl)sulfanyl]propanoic acid

Description:

2-[(4-Chlorobenzyl)sulfanyl]propanoic acid, with the CAS number 122305-66-2, is an organic compound characterized by the presence of a propanoic acid moiety linked to a 4-chlorobenzylthio group. This compound features a sulfur atom that connects the benzyl group to the propanoic acid, imparting unique chemical properties. The presence of the 4-chlorobenzyl group enhances its lipophilicity, which can influence its biological activity and solubility in organic solvents. The carboxylic acid functional group contributes to its acidity and potential reactivity in various chemical reactions, such as esterification or amidation. Additionally, the chlorinated aromatic ring may provide opportunities for further functionalization or interaction with biological targets. Overall, this compound's structure suggests potential applications in pharmaceuticals or agrochemicals, where the combination of a thioether and a carboxylic acid can play a significant role in modulating biological activity. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₀H₁₁ClO₂S

InChI: InChI=1/C10H11ClO2S/c1-7(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)

SMILES: CC(C(=O)O)SCc1ccc(cc1)Cl

2-[(4-chlorobenzyl)thio]propanoic acid

CAS: 122305-66-2

Formula: C₁₀H₁₁ClO₂S

Molecular weight: 230.7111

Ref: IN-DA00173C