CAS 847783-73-7

2,4-Dihydro-4-(2-methylpropyl)-5-(4-morpholinyl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-(2-methylpropyl)-5-(4-morpholinyl)-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, which contributes to its reactivity and potential biological activity. The presence of a morpholine ring suggests that it may exhibit properties relevant to medicinal chemistry, potentially acting as a pharmacophore in drug design. The branched alkyl group (2-methylpropyl) enhances its lipophilicity, which can influence its solubility and permeability in biological systems. This compound may be of interest in agricultural chemistry, particularly as a fungicide or herbicide, due to its structural characteristics that could interact with biological targets. Overall, its unique combination of functional groups and structural features makes it a subject of interest for further research in various chemical and biological applications.

Formula: C₁₀H₁₈N₄OS

InChI: InChI=1S/C10H18N4OS/c1-8(2)7-14-9(11-12-10(14)16)13-3-5-15-6-4-13/h8H,3-7H2,1-2H3,(H,12,16)

InChI key: InChIKey=UKSOXGBVEZXIAD-UHFFFAOYSA-N

SMILES: C(C(C)C)N1C(=NNC1=S)N2CCOCC2

Synonyms:

• 2,4-Dihydro-4-(2-methylpropyl)-5-(4-morpholinyl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methylpropyl)-5-(4-morpholinyl)-