CAS 41401-15-4

5-(4-chlorophenyl)-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-(4-Chlorophenyl)-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 41401-15-4, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom within the triazole framework. The compound exhibits significant biological activity, often studied for its potential as an antifungal or antibacterial agent. Its chlorophenyl and methylphenyl substituents contribute to its lipophilicity, influencing its solubility and interaction with biological membranes. The presence of the thione group may also enhance its reactivity and ability to form coordination complexes with metal ions. Overall, this compound is of interest in medicinal chemistry and agricultural applications, where its unique structural features can be leveraged for developing new therapeutic agents or crop protection products.

Formula: C₁₅H₁₂ClN₃S

InChI: InChI=1/C15H12ClN3S/c1-10-2-8-13(9-3-10)19-14(17-18-15(19)20)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,18,20)

SMILES: Cc1ccc(cc1)n1c(c2ccc(cc2)Cl)nnc1S

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-(4-methylphenyl)-
• 5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

CAS: 41401-15-4

Versatile small molecule scaffold

Formula: C₁₅H₁₂ClN₃S

Purity: Min. 95%

Molecular weight: 301.8 g/mol

Ref: 3D-RBA40115