CAS 847503-29-1

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

Description:

5-[3-(4-Chloro-2-methylphenoxy)propyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 847503-29-1, is a chemical compound characterized by its triazole core, which is a five-membered heterocyclic 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 and an ethyl group enhances its lipophilicity, potentially influencing its solubility and interaction with biological membranes. The compound's structure suggests it may exhibit properties relevant to agricultural chemistry, particularly as a fungicide or herbicide, due to the presence of the triazole moiety, which is known for its antifungal activity. Additionally, the specific substituents may impart unique pharmacological properties, making it a candidate for further research in medicinal chemistry. Overall, this compound's unique structural features position it as a subject of interest in both synthetic and applied chemistry.

Formula: C₁₄H₁₈ClN₃OS

InChI: InChI=1S/C14H18ClN3OS/c1-3-18-13(16-17-14(18)20)5-4-8-19-12-7-6-11(15)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)

InChI key: InChIKey=YTXXOMBBXTUUMS-UHFFFAOYSA-N

SMILES: C(CCOC1=C(C)C=C(Cl)C=C1)C=2N(CC)C(=S)NN2

Synonyms:

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