CAS 1142202-49-0

2-[[2-(2-Chlorophenyl)ethyl]thio]benzoic acid

Description:

2-[[2-(2-Chlorophenyl)ethyl]thio]benzoic acid, identified by its CAS number 1142202-49-0, is a chemical compound that features a benzoic acid moiety substituted with a thioether group. This compound exhibits characteristics typical of both aromatic and aliphatic compounds, including potential hydrophobic interactions due to its chlorophenyl and ethyl groups. The presence of the carboxylic acid functional group contributes to its acidity and potential for hydrogen bonding, which can influence its solubility in polar solvents. The chlorophenyl group may impart additional electronic effects, potentially affecting the compound's reactivity and biological activity. This compound may be of interest in medicinal chemistry and material science due to its structural features, which could lead to specific interactions with biological targets or incorporation into polymeric materials. As with many organic compounds, its stability, reactivity, and potential applications would depend on the specific conditions under which it is used, including temperature, pH, and the presence of other chemical species.

Formula: C₁₅H₁₃ClO₂S

InChI: InChI=1S/C15H13ClO2S/c16-13-7-3-1-5-11(13)9-10-19-14-8-4-2-6-12(14)15(17)18/h1-8H,9-10H2,(H,17,18)

InChI key: InChIKey=MKYIOSFMRGRTLC-UHFFFAOYSA-N

SMILES: S(CCC1=C(Cl)C=CC=C1)C2=C(C(O)=O)C=CC=C2

Synonyms:

• Benzoic acid, 2-[[2-(2-chlorophenyl)ethyl]thio]-
• 2-[[2-(2-Chlorophenyl)ethyl]thio]benzoic acid