CAS 669737-45-5

5-[1-(2-Chloro-5-methylphenoxy)ethyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

Description:

5-[1-(2-Chloro-5-methylphenoxy)ethyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione 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, contributing to its potential biological activity. The presence of the triazole ring suggests that it may exhibit properties typical of triazole derivatives, such as antifungal or herbicidal activity. The thione group can influence the compound's reactivity and stability, potentially enhancing its interaction with biological targets. Additionally, the ethyl and methyl substituents may affect its lipophilicity and solubility, which are critical for its bioavailability and efficacy in various applications. Overall, this compound's unique structural features position it as a candidate for further research in medicinal chemistry and agrochemical applications, although specific biological activity and safety profiles would require empirical investigation.

Formula: C₁₂H₁₄ClN₃OS

InChI: InChI=1S/C12H14ClN3OS/c1-7-4-5-9(13)10(6-7)17-8(2)11-14-15-12(18)16(11)3/h4-6,8H,1-3H3,(H,15,18)

InChI key: InChIKey=VEICWCJHSJKSGH-UHFFFAOYSA-N

SMILES: C(OC1=C(Cl)C=CC(C)=C1)(C)C=2N(C)C(=S)NN2

Synonyms:

• 5-[1-(2-Chloro-5-methylphenoxy)ethyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[1-(2-chloro-5-methylphenoxy)ethyl]-2,4-dihydro-4-methyl-

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

CAS: 669737-45-5

Formula: C₁₂H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 283.77

Ref: 10-F307789