CAS 66297-64-1

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

Description:

The chemical substance known as {[4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, with the CAS number 66297-64-1, is characterized by its unique structure that includes a triazole ring and a sulfanyl group attached to an acetic acid moiety. This compound typically exhibits properties associated with both acidic and aromatic functionalities, which may influence its solubility and reactivity. The presence of the triazole ring suggests potential applications in pharmaceuticals, particularly as a fungicide or in other agrochemical formulations, due to its biological activity. Additionally, the methylphenyl substituent can enhance lipophilicity, potentially affecting the compound's interaction with biological membranes. The sulfanyl group may also contribute to the compound's reactivity, allowing for further chemical modifications. Overall, this substance is of interest in various fields, including medicinal chemistry and agricultural science, due to its potential utility and the diverse properties imparted by its functional groups.

Formula: C₁₁H₁₁N₃O₂S

InChI: InChI=1/C11H11N3O2S/c1-8-2-4-9(5-3-8)14-7-12-13-11(14)17-6-10(15)16/h2-5,7H,6H2,1H3,(H,15,16)

SMILES: Cc1ccc(cc1)n1cnnc1SCC(=O)O

Synonyms:

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

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

CAS: 66297-64-1

Versatile small molecule scaffold

Formula: C₁₁H₁₁N₃O₂S

Purity: Min. 95%

Molecular weight: 249.29 g/mol

Ref: 3D-RCA29764