CAS 588673-95-4

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

Description:

4-Ethyl-2,4-dihydro-5-[1-(3-methylphenoxy)ethyl]-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure 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 an ethyl group and a 3-methylphenoxyethyl substituent suggests that it may exhibit lipophilic properties, potentially influencing its solubility and interaction with biological membranes. The compound's structure indicates it may have applications in agricultural chemistry, possibly as a fungicide or herbicide, due to the triazole moiety commonly associated with such activities. Additionally, the specific arrangement of substituents may confer unique pharmacological properties, making it of interest in medicinal chemistry. As with many organic compounds, its stability, reactivity, and biological effects would depend on environmental conditions and the presence of other substances.

Formula: C₁₃H₁₇N₃OS

InChI: InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)10(3)17-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,15,18)

InChI key: InChIKey=FJCHRBAMRPZFPB-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 588673-95-4

Formula: C₁₃H₁₇N₃OS

Purity: 95.0%

Molecular weight: 263.36

Ref: 10-F307795