CAS 7271-49-0

5-Heptyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-Heptyl-1,2-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 a heptyl group, contributing to its hydrophobic characteristics and potentially influencing its solubility and biological activity. The presence of a thione functional group (–C=S) indicates that it may exhibit unique reactivity and properties compared to its corresponding thiol or sulfonyl derivatives. The compound is likely to be a solid at room temperature, with potential applications in various fields, including pharmaceuticals, agrochemicals, or as a ligand in coordination chemistry. Its specific interactions and stability can be influenced by factors such as pH, temperature, and the presence of other chemical species. As with many nitrogen-containing heterocycles, it may also exhibit interesting biological activities, making it a subject of interest for further research in medicinal chemistry. Safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₉H₁₇N₃S

InChI: InChI=1S/C9H17N3S/c1-2-3-4-5-6-7-8-10-9(13)12-11-8/h2-7H2,1H3,(H2,10,11,12,13)

InChI key: InChIKey=XTWRQARBVPMUPP-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-heptyl-1,2-dihydro-
• Δ2-1,2,4-Triazoline-5-thione, 3-heptyl-
• 5-Heptyl-1,2-dihydro-3H-1,2,4-triazole-3-thione