CAS 667413-66-3

5-[1-(2,3-dimethylphenoxy)ethyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[1-(2,3-dimethylphenoxy)ethyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 667413-66-3, is a chemical compound characterized by its complex structure, which includes a triazole ring and a thione functional group. This compound typically exhibits properties associated with both triazoles and thiones, such as potential biological activity, including antifungal or herbicidal effects. The presence of the dimethylphenoxy and alkenyl groups suggests that it may have lipophilic characteristics, enhancing its ability to interact with biological membranes. Additionally, the thione group can participate in various chemical reactions, including nucleophilic attacks and coordination with metal ions. The compound's solubility, stability, and reactivity can vary based on environmental conditions such as pH and temperature. Overall, this substance may be of interest in agricultural chemistry or pharmaceutical research due to its potential applications in crop protection or as a therapeutic agent.

Formula: C₁₅H₁₉N₃OS

InChI: InChI=1/C15H19N3OS/c1-5-9-18-14(16-17-15(18)20)12(4)19-13-8-6-7-10(2)11(13)3/h5-8,12H,1,9H2,2-4H3,(H,17,20)

SMILES: C=CCn1c(C(C)Oc2cccc(C)c2C)nnc1S

Synonyms:

• 4-Allyl-5-[1-(2,3-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-[1-(2,3-dimethylphenoxy)ethyl]-4-(2-propen-1-yl)-

4-allyl-5-[1-(2,3-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

CAS: 667413-66-3

Formula: C₁₅H₁₉N₃OS

Purity: 95.0%

Molecular weight: 289.4

Ref: 10-F307808