CAS 88382-51-8

4-[[(4-Chlorophenyl)thio]methyl]benzoic acid

Description:

4-[[(4-Chlorophenyl)thio]methyl]benzoic acid, identified by its CAS number 88382-51-8, is an organic compound characterized by its benzoic acid structure modified with a thioether and a chlorophenyl group. This compound features a benzoic acid moiety, which contributes to its acidity and potential reactivity. The presence of the 4-chlorophenyl group introduces electron-withdrawing characteristics, influencing the compound's overall electronic properties and reactivity. The thioether linkage (-S-CH2-) connects the chlorophenyl group to the benzoic acid, which can affect solubility and interaction with biological systems. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical and agrochemical research. Additionally, the presence of chlorine can enhance lipophilicity, potentially affecting the compound's absorption and distribution in biological systems. Overall, 4-[[(4-Chlorophenyl)thio]methyl]benzoic acid is a compound with unique structural features that may confer specific chemical and biological properties.

Formula: C₁₄H₁₁ClO₂S

InChI: InChI=1S/C14H11ClO2S/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)

InChI key: InChIKey=WLILBDMBJNDKRT-UHFFFAOYSA-N

SMILES: C(SC1=CC=C(Cl)C=C1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• 4-[[(4-Chlorophenyl)thio]methyl]benzoic acid
• Benzoic acid, 4-[[(4-chlorophenyl)thio]methyl]-
• NSC 635239
• 4-[[(4-Chlorophenyl)sulfanyl]methyl]benzoic acid

4-(4-Chloro-phenylsulfanylmethyl)-benzoic acid

CAS: 88382-51-8

Formula: C₁₄H₁₁ClO₂S

Molecular weight: 278.7539

Ref: IN-DA004FR4