CAS 667413-83-4

5-[(4-chloro-3-methylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[(4-chloro-3-methylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 667413-83-4, is a chemical compound characterized by its complex structure, which includes a triazole ring and a thione functional group. This compound features a chloro-substituted aromatic moiety and an allyl group, contributing to its potential reactivity and biological activity. The presence of the thione group suggests that it may exhibit properties typical of thioketones, such as acting as a nucleophile in various chemical reactions. Additionally, the triazole ring is known for its stability and ability to form coordination complexes, which may enhance its utility in medicinal chemistry or agricultural applications. The compound's specific characteristics, such as solubility, melting point, and reactivity, would depend on its molecular interactions and the environment in which it is studied. Overall, this compound may have potential applications in pharmaceuticals or agrochemicals, warranting further investigation into its biological activity and chemical behavior.

Formula: C₁₃H₁₄ClN₃OS

InChI: InChI=1/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,16,19)

SMILES: C=CCn1c(COc2ccc(c(C)c2)Cl)nnc1S

Synonyms:

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

4-allyl-5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

CAS: 667413-83-4

Formula: C₁₃H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 295.79

Ref: 10-F307784