CAS 869941-78-6

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

Description:

5-Ethyl-2,4-dihydro-4-(2-propen-1-yl)-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 ethyl and propenyl substituents enhance its lipophilicity and may influence its interaction with biological targets. The compound is likely to exhibit properties typical of triazoles, such as antifungal or herbicidal activity, making it of interest in agricultural and pharmaceutical applications. Its molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and cycloadditions. As with many triazole derivatives, it may also exhibit tautomerism due to the presence of the thione group, which can affect its stability and reactivity. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or environmental impact.

Formula: C₇H₁₁N₃S

InChI: InChI=1S/C7H11N3S/c1-3-5-10-6(4-2)8-9-7(10)11/h3H,1,4-5H2,2H3,(H,9,11)

InChI key: InChIKey=XZBZKFSXOSSXLY-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-ethyl-2,4-dihydro-4-(2-propen-1-yl)-
• 5-Ethyl-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-ethyl-2,4-dihydro-4-(2-propenyl)-