CAS 861227-44-3

2,4-Dihydro-4-propyl-5-(5-propyl-3-thienyl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-propyl-5-(5-propyl-3-thienyl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound 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 propyl groups and a thienyl moiety suggests that it may exhibit hydrophobic characteristics, influencing its solubility and interaction with biological systems. The compound's structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and agricultural applications, particularly as a fungicide or herbicide. Its CAS number, 861227-44-3, allows for precise identification and retrieval of information regarding its synthesis, properties, and safety data. Overall, this compound exemplifies the diverse chemistry of triazoles and their derivatives, which are widely studied for their potential applications in various fields.

Formula: C₁₂H₁₇N₃S₂

InChI: InChI=1S/C12H17N3S2/c1-3-5-10-7-9(8-17-10)11-13-14-12(16)15(11)6-4-2/h7-8H,3-6H2,1-2H3,(H,14,16)

InChI key: InChIKey=QAIPNROHLSYNDJ-UHFFFAOYSA-N

SMILES: C(CC)N1C(=NNC1=S)C=2C=C(CCC)SC2

Synonyms:

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