CAS 108035-46-7

3-(2,3-Dihydro-2-thioxo-1H-imidazol-1-yl)benzoic acid

Description:

3-(2,3-Dihydro-2-thioxo-1H-imidazol-1-yl)benzoic acid, with the CAS number 108035-46-7, is a chemical compound that features a benzoic acid moiety substituted with a 2,3-dihydro-2-thioxo-1H-imidazole group. This compound is characterized by its unique structural components, which include a benzene ring and an imidazole derivative, contributing to its potential biological activity. The presence of the thioxo group may impart specific reactivity and interaction capabilities, making it of interest in medicinal chemistry and drug design. The carboxylic acid functional group in the benzoic acid portion suggests that the compound can participate in acid-base reactions and may exhibit solubility in polar solvents. Additionally, the imidazole ring is known for its role in various biochemical processes, potentially influencing the compound's pharmacological properties. Overall, this compound's structure suggests it may have applications in pharmaceuticals or as a biochemical probe, although specific biological activities would require further investigation.

Formula: C₁₀H₈N₂O₂S

InChI: InChI=1S/C10H8N2O2S/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-6H,(H,11,15)(H,13,14)

InChI key: InChIKey=VETDXANSFNJMHM-UHFFFAOYSA-N

SMILES: S=C1N(C2=CC(C(O)=O)=CC=C2)C=CN1

Synonyms:

• Benzoic acid, 3-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-
• 3-(2,3-Dihydro-2-thioxo-1H-imidazol-1-yl)benzoic acid