CAS 588692-13-1

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

Description:

5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique 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 a chloro-substituted aromatic ring enhances its lipophilicity, potentially influencing its solubility and interaction with biological systems. The ethyl group and the phenoxy moiety provide additional steric and electronic effects that can affect the compound's pharmacological properties. This compound may exhibit various biological activities, making it of interest in medicinal chemistry and agrochemical applications. Its specific properties, such as melting point, solubility, and stability, would depend on the molecular interactions and the environment in which it is studied. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₂H₁₄ClN₃OS

InChI: InChI=1/C12H14ClN3OS/c1-3-16-11(14-15-12(16)18)7-17-10-6-8(2)4-5-9(10)13/h4-6H,3,7H2,1-2H3,(H,15,18)

SMILES: CCn1c(COc2cc(C)ccc2Cl)nnc1S

Synonyms:

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

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

CAS: 588692-13-1

Formula: C₁₂H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 283.77

Ref: 10-F307750