CAS 669729-27-5

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

Description:

4-Ethyl-2,4-dihydro-5-[4-(1-methylethyl)phenyl]-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 a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of ethyl and isopropyl substituents on the phenyl ring enhances its lipophilicity, which may influence its solubility and interaction with biological membranes. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential as a fungicide or herbicide. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many triazole derivatives, it may exhibit antifungal properties, making it a candidate for further research in medicinal chemistry.

Formula: C₁₃H₁₇N₃S

InChI: InChI=1S/C13H17N3S/c1-4-16-12(14-15-13(16)17)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H,15,17)

InChI key: InChIKey=DNADHHDEAPRXAM-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 669729-27-5

Formula: C₁₃H₁₇N₃S

Purity: 95.0%

Molecular weight: 247.36

Ref: 10-F307732