CAS 850020-92-7

2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid

Description:

2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid, with the CAS number 850020-92-7, is a chemical compound characterized by its complex structure that includes a benzoic acid moiety, a thioether linkage, and an amino group attached to a cyanophenyl group. This compound typically exhibits properties associated with both acidic and basic functionalities due to the presence of the carboxylic acid group and the amino group, which can participate in hydrogen bonding and other intermolecular interactions. The presence of the cyanophenyl group may impart specific electronic properties, potentially influencing its reactivity and solubility in various solvents. Additionally, the thioether linkage can enhance the compound's stability and may affect its biological activity. Such compounds are often of interest in medicinal chemistry and materials science due to their potential applications in drug development and as intermediates in organic synthesis. Overall, the unique combination of functional groups in this compound contributes to its distinctive chemical behavior and potential utility in various fields.

Formula: C₁₆H₁₂N₂O₃S

InChI: InChI=1S/C16H12N2O3S/c17-9-11-4-3-5-12(8-11)18-15(19)10-22-14-7-2-1-6-13(14)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)

InChI key: InChIKey=VJDITWKEMWCZTC-UHFFFAOYSA-N

SMILES: S(CC(NC1=CC(C#N)=CC=C1)=O)C2=C(C(O)=O)C=CC=C2

Synonyms:

• Benzoic acid, 2-[[2-[(3-cyanophenyl)amino]-2-oxoethyl]thio]-
• 2-[[2-[(3-Cyanophenyl)amino]-2-oxoethyl]thio]benzoic acid