CAS 7190-83-2

3-Phenyl-1,2,4-triazolo[4,3-b]pyridazine-6(5H)-thione

Description:

3-Phenyl-1,2,4-triazolo[4,3-b]pyridazine-6(5H)-thione is a heterocyclic compound characterized by its unique triazole and pyridazine ring structures. This compound features a phenyl group attached to the triazole moiety, contributing to its aromatic properties. The presence of a thione functional group (–S) at the 6-position of the pyridazine ring imparts specific reactivity and potential biological activity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological significance of triazole and pyridazine derivatives. Its CAS number, 7190-83-2, allows for easy identification in chemical databases. As with many heterocycles, the compound may exhibit interesting electronic properties, making it a subject of study in materials science and organic synthesis. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₁H₈N₄S

InChI: InChI=1S/C11H8N4S/c16-10-7-6-9-12-13-11(15(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,14,16)

InChI key: InChIKey=ZFSRIRQNMXGKGG-UHFFFAOYSA-N

SMILES: S=C1NN2C(=NN=C2C=C1)C3=CC=CC=C3

Synonyms:

• 3-Phenyl-1,2,4-triazolo[4,3-b]pyridazine-6(5H)-thione
• 3-Phenyl-5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
• s-Triazolo[4,3-b]pyridazine-6-thiol, 3-phenyl-
• 3-Phenyl[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
• 1,2,4-Triazolo[4,3-b]pyridazine-6(5H)-thione, 3-phenyl-
• ZINC02456091