CAS 725710-58-7

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

Description:

5-[(2-Chlorophenoxy)methyl]-4-(1-ethylpropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 725710-58-7, 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 the 2-chlorophenoxy group suggests that it may exhibit herbicidal or fungicidal properties, as phenoxy compounds are often associated with such activities. The ethylpropyl substituent enhances its lipophilicity, potentially influencing its solubility and absorption characteristics. This compound may be of interest in agricultural chemistry or pharmaceuticals, particularly in the development of agrochemicals or therapeutic agents. Its specific interactions, stability, and efficacy would depend on further empirical studies and characterization.

Formula: C₁₄H₁₈ClN₃OS

InChI: InChI=1S/C14H18ClN3OS/c1-3-10(4-2)18-13(16-17-14(18)20)9-19-12-8-6-5-7-11(12)15/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)

InChI key: InChIKey=ZSJPUEIYNSDBTE-UHFFFAOYSA-N

SMILES: C(CC)(CC)N1C(COC2=C(Cl)C=CC=C2)=NNC1=S

Synonyms:

• 5-[(2-Chlorophenoxy)methyl]-4-(1-ethylpropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-2,4-dihydro-