CAS 491647-36-0

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

Description:

4-Ethyl-5-[(4-ethylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features an ethyl group and a phenoxy group, contributing to its lipophilicity and potential biological activity. The presence of the thione functional group indicates that it may exhibit properties typical of thioketones, which can influence its reactivity and interactions with biological systems. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the triazole moiety, which is known for its antifungal and herbicidal properties. Additionally, the presence of the ethylphenoxy group may enhance its solubility and stability in various solvents. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the environment in which it is studied. Safety and handling precautions should be observed, as with all chemical substances.

Formula: C₁₃H₁₇N₃OS

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

InChI key: InChIKey=ITBHNGPSDUFBRH-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 491647-36-0

Formula: C₁₃H₁₇N₃OS

Purity: 95.0%

Molecular weight: 263.36

Ref: 10-F307767