CAS 588673-88-5

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

Description:

5-[(4-Chloro-2-methylphenoxy)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 588673-88-5, 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 aromatic ring enhances its lipophilicity, potentially influencing its interaction with biological systems. The ethyl group and the phenoxy methyl moiety provide additional steric and electronic properties that may affect its solubility and stability. This compound may exhibit various pharmacological activities, making it of interest in medicinal chemistry. Its synthesis and characterization would typically involve standard organic reactions, and it may be evaluated for its efficacy in various applications, including agricultural or pharmaceutical contexts. Safety and handling precautions should be observed due to the presence of chlorine and sulfur in its structure.

Formula: C₁₂H₁₄ClN₃OS

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

InChI key: InChIKey=JWWLHFMBNXECJX-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 588673-88-5

Formula: C₁₂H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 283.77

Ref: 10-F307716