CAS 667437-95-8

5-(4-chlorobenzyl)-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-(4-chlorobenzyl)-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole structure, which includes a thione functional group. This compound features a 4-chlorobenzyl substituent and an allyl group, contributing to its potential reactivity and biological activity. The presence of the triazole ring suggests that it may exhibit properties typical of heterocyclic compounds, such as antimicrobial or antifungal activity. The thione group can participate in various chemical reactions, including nucleophilic attacks and coordination with metal ions. Additionally, the compound's molecular structure indicates potential for interactions with biological targets, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent used. Overall, this compound represents a class of triazole derivatives that may have applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and potential uses.

Formula: C₁₂H₁₂ClN₃S

InChI: InChI=1/C12H12ClN3S/c1-2-7-16-11(14-15-12(16)17)8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,15,17)

SMILES: C=CCn1c(Cc2ccc(cc2)Cl)nnc1S

Synonyms:

• 4-Allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2-propen-1-yl)-

4-allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol

CAS: 667437-95-8

Formula: C₁₂H₁₂ClN₃S

Purity: 95.0%

Molecular weight: 265.76

Ref: 10-F307727