CAS 588674-42-4

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

Description:

5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 588674-42-4, is a chemical compound characterized by its triazole core, which is a five-membered ring 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 a chloro-substituted phenyl group and a dimethyl substitution pattern suggests that it may exhibit specific interactions with biological targets, potentially influencing its pharmacological properties. The ethyl and methyl groups attached to the triazole structure enhance its lipophilicity, which can affect its solubility and permeability in biological systems. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals, due to its unique structural features and potential bioactivity. Further studies would be necessary to fully elucidate its properties and applications.

Formula: C₁₃H₁₆ClN₃OS

InChI: InChI=1/C13H16ClN3OS/c1-7-5-10(6-8(2)11(7)14)18-9(3)12-15-16-13(19)17(12)4/h5-6,9H,1-4H3,(H,16,19)

SMILES: Cc1cc(cc(C)c1Cl)OC(C)c1nnc(n1C)S

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

CAS: 588674-42-4

Formula: C₁₃H₁₆ClN₃OS

Purity: 95.0%

Molecular weight: 297.8

Ref: 10-F307824