CAS 725221-37-4

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

Description:

5-[1-(2,4-Dimethylphenoxy)ethyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, with the CAS number 725221-37-4, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The presence of the 2,4-dimethylphenoxyethyl substituent suggests that it may exhibit lipophilic properties, potentially influencing its solubility and interaction with biological membranes. The compound's structure implies potential applications in agricultural chemistry, particularly as a fungicide or herbicide, due to the triazole moiety's known efficacy in inhibiting fungal growth. Additionally, the presence of multiple functional groups may allow for further chemical modifications, enhancing its utility in various chemical syntheses or pharmaceutical applications. Overall, this compound represents a class of triazole derivatives with diverse potential applications in both industrial and research settings.

Formula: C₁₃H₁₇N₃OS

InChI: InChI=1S/C13H17N3OS/c1-8-5-6-11(9(2)7-8)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)

InChI key: InChIKey=LVZHKFDJIMXVJO-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[1-(2,4-dimethylphenoxy)ethyl]-2,4-dihydro-4-methyl-
• 5-[1-(2,4-Dimethylphenoxy)ethyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione