CAS 1119452-21-9

2-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzoic acid

Description:

2-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and a triazole ring. The presence of the thioxo group contributes to its potential reactivity and biological activity. This compound may exhibit properties such as antimicrobial, antifungal, or herbicidal activities, making it of interest in pharmaceutical and agricultural applications. Its molecular structure suggests it could participate in hydrogen bonding due to the carboxylic acid functional group, influencing its solubility and interaction with biological targets. The compound's stability and reactivity can be affected by environmental conditions such as pH and temperature. Additionally, its synthesis and characterization would typically involve standard organic chemistry techniques, including spectroscopic methods for confirmation of structure. Overall, this compound represents a class of heterocyclic compounds that are valuable in medicinal chemistry and agrochemicals.

Formula: C₉H₇N₃O₂S

InChI: InChI=1S/C9H7N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h1-4H,(H,13,14)(H2,10,11,12,15)

InChI key: InChIKey=JWOZQWKZSCWSJU-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=CC=C1)C2=NNC(=S)N2

Synonyms:

• 2-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzoic acid
• 2-(5-Sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoic acid
• Benzoic acid, 2-(2,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)-
• 2-(5-Sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid
• 2-(5-Sulfanyl-1H-1,2,4-triazol-3-yl)benzoic acid