CAS 326915-38-2

2-[[6-(4-Chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid

Description:

2-[[6-(4-Chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid, identified by its CAS number 326915-38-2, is a chemical compound characterized by its unique structural features. It contains a pyridine ring substituted with a cyano group and a thioacetic acid moiety, which contributes to its potential reactivity and biological activity. The presence of the 4-chlorophenyl group enhances its lipophilicity, potentially influencing its interaction with biological targets. This compound may exhibit properties typical of thioacetic acids, such as being a weak acid due to the carboxylic acid functional group. Its structural complexity suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's specific interactions and mechanisms of action would depend on its conformation and the presence of functional groups, making it a candidate for further research in drug discovery and development. As with many chemical substances, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₄H₉ClN₂O₂S

InChI: InChI=1S/C14H9ClN2O2S/c15-11-4-1-9(2-5-11)12-6-3-10(7-16)14(17-12)20-8-13(18)19/h1-6H,8H2,(H,18,19)

InChI key: InChIKey=BCIGITMPKJQGJB-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C1=NC(=CC=C1C#N)C2=CC=C(Cl)C=C2

Synonyms:

• Acetic acid, 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-
• 2-[[6-(4-Chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid
• Acetic acid, [[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-