CAS 403990-82-9

4-Ethyl-2,4-dihydro-5-(1-phenoxyethyl)-3H-1,2,4-triazole-3-thione

Description:

4-Ethyl-2,4-dihydro-5-(1-phenoxyethyl)-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 ethyl group and phenoxyethyl substituent enhance its lipophilicity, potentially influencing its solubility and interaction with biological membranes. This compound may exhibit fungicidal or herbicidal properties, making it of interest in agricultural chemistry. Its structure suggests that it could interact with various biological targets, possibly affecting enzyme activity or cellular processes. As with many triazole derivatives, it may also serve as a scaffold for the development of new pharmaceuticals or agrochemicals. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or environmental impact.

Formula: C₁₂H₁₅N₃OS

InChI: InChI=1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)9(2)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,17)

InChI key: InChIKey=IQQLIRYLDUFNFD-UHFFFAOYSA-N

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

Synonyms:

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

4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol

CAS: 403990-82-9

Formula: C₁₂H₁₅N₃OS

Purity: 95.0%

Molecular weight: 249.33

Ref: 10-F307787