CAS 1142202-91-2

4-[[[5-[(4-Chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid

Description:

4-[[[5-[(4-Chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid, identified by its CAS number 1142202-91-2, is a chemical compound characterized by its complex structure that includes a benzoic acid moiety and a thiadiazole ring. This substance typically exhibits properties associated with both aromatic and heterocyclic compounds, which may influence its solubility, stability, and reactivity. The presence of the chlorophenoxy group suggests potential applications in agrochemicals or pharmaceuticals, as such groups are often linked to biological activity. The thiadiazole component may impart specific pharmacological properties, making it of interest in medicinal chemistry. Additionally, the carboxylic acid functional group indicates that the compound can participate in acid-base reactions and may form salts or esters. Overall, this compound's unique structural features contribute to its potential utility in various chemical applications, including drug development and agricultural formulations. Further studies would be necessary to elucidate its specific biological activities and interactions.

Formula: C₁₇H₁₂ClN₃O₄S

InChI: InChI=1S/C17H12ClN3O4S/c18-11-3-7-13(8-4-11)25-9-14-20-21-16(26-14)15(22)19-12-5-1-10(2-6-12)17(23)24/h1-8H,9H2,(H,19,22)(H,23,24)

InChI key: InChIKey=YMNILFAUXNGGFI-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(C(O)=O)C=C1)(=O)C=2SC(COC3=CC=C(Cl)C=C3)=NN2

Synonyms:

• Benzoic acid, 4-[[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]-
• 4-[[[5-[(4-Chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]benzoic acid