CAS 1225539-48-9

6-(1,3-Benzodioxol-5-yl)-3(2H)-pyridazinethione

Description:

6-(1,3-Benzodioxol-5-yl)-3(2H)-pyridazinethione, identified by its CAS number 1225539-48-9, is a chemical compound that features a pyridazine ring fused with a thione functional group and a benzodioxole moiety. This compound is characterized by its unique structural arrangement, which contributes to its potential biological activity. The presence of the benzodioxole group may impart specific electronic properties and enhance interactions with biological targets, making it of interest in medicinal chemistry. Pyridazinethiones are known for their diverse pharmacological properties, including antimicrobial and anti-inflammatory activities. The compound's solubility, stability, and reactivity can vary based on its functional groups and the surrounding environment. Additionally, its synthesis typically involves multi-step organic reactions, which may include condensation and cyclization processes. Overall, this compound represents a fascinating area of study for researchers exploring novel therapeutic agents and their mechanisms of action.

Formula: C₁₁H₈N₂O₂S

InChI: InChI=1S/C11H8N2O2S/c16-11-4-2-8(12-13-11)7-1-3-9-10(5-7)15-6-14-9/h1-5H,6H2,(H,13,16)

InChI key: InChIKey=KDGOJEXWEQVFHE-UHFFFAOYSA-N

SMILES: S=C1C=CC(C=2C=C3C(=CC2)OCO3)=NN1

Synonyms:

• 3(2H)-Pyridazinethione, 6-(1,3-benzodioxol-5-yl)-
• 6-(1,3-Benzodioxol-5-yl)-3(2H)-pyridazinethione
• 6-(2H-1,3-benzodioxol-5-yl)pyridazine-3-thiol
• 6-(1,3-Benzodioxol-5-yl)pyridazine-3(2h)-thione