CAS 1305712-90-6

5-(1-Methylethyl)-1H-1,2,4-triazole-3-ethanethioamide

Description:

5-(1-Methylethyl)-1H-1,2,4-triazole-3-ethanethioamide is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This compound features an isopropyl group (1-methylethyl) and an ethanethioamide functional group, contributing to its potential biological activity. The presence of the triazole moiety often indicates applications in agriculture, particularly as a fungicide or herbicide, due to its ability to inhibit specific enzymes in target organisms. The thioamide group may enhance its reactivity and interaction with biological systems. This compound is likely to be a solid at room temperature, with solubility varying based on the solvent used. Its molecular structure suggests potential for various chemical reactions, making it of interest in medicinal chemistry and agrochemical research. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or environmental impact. Further studies would be necessary to fully elucidate its properties and applications.

Formula: C₇H₁₂N₄S

InChI: InChI=1S/C7H12N4S/c1-4(2)7-9-6(10-11-7)3-5(8)12/h4H,3H2,1-2H3,(H2,8,12)(H,9,10,11)

InChI key: InChIKey=NPARXRVRDULQLM-UHFFFAOYSA-N

SMILES: C(C(N)=S)C=1NC(C(C)C)=NN1

Synonyms:

• 1H-1,2,4-Triazole-3-ethanethioamide, 5-(1-methylethyl)-
• 5-(1-Methylethyl)-1H-1,2,4-triazole-3-ethanethioamide