CAS 66297-69-6

{[4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Description:

The chemical substance known as {[4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, with the CAS number 66297-69-6, is characterized by its unique structural features that include a triazole ring and a sulfanyl group. This compound typically exhibits properties associated with both triazoles and carboxylic acids, such as potential acidity due to the carboxylic acid functional group and the ability to form hydrogen bonds. The presence of the 3-chlorophenyl moiety may influence its biological activity and solubility, making it of interest in pharmaceutical applications. Additionally, the triazole ring is known for its role in various biological processes and can serve as a scaffold for drug development. The compound may also exhibit specific reactivity patterns due to the sulfanyl group, which can participate in nucleophilic substitution reactions. Overall, this substance is likely to have applications in medicinal chemistry, particularly in the development of antifungal or antimicrobial agents, given the biological relevance of its structural components.

Formula: C₁₀H₈ClN₃O₂S

InChI: InChI=1/C10H8ClN3O2S/c11-7-2-1-3-8(4-7)14-6-12-13-10(14)17-5-9(15)16/h1-4,6H,5H2,(H,15,16)

SMILES: c1cc(cc(c1)n1cnnc1SCC(=O)O)Cl

Synonyms:

• {[4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid

{[4-(3-Chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid

CAS: 66297-69-6

Versatile small molecule scaffold

Formula: C₁₀H₈ClN₃O₂S

Purity: Min. 95%

Molecular weight: 269.71 g/mol

Ref: 3D-RCA29769