CAS 477871-64-0

6-(2-Benzothiazolylthio)-3-(chlorodifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazine

Description:

6-(2-Benzothiazolylthio)-3-(chlorodifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazine is a chemical compound characterized by its complex structure, which includes a triazole ring fused with a pyridazine moiety, and a benzothiazole group linked via a thioether bond. This compound features a chlorodifluoromethyl group, which contributes to its unique reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of halogen atoms, particularly chlorine and fluorine, often enhances the lipophilicity and biological activity of the molecule. Its molecular structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's stability and solubility can be influenced by the functional groups present, which may affect its behavior in different solvents and under various conditions. Overall, this compound exemplifies the intricate design often found in synthetic organic chemistry, where specific substitutions are made to tailor the properties for desired applications.

Formula: C₁₃H₆ClF₂N₅S₂

InChI: InChI=1S/C13H6ClF2N5S2/c14-13(15,16)11-19-18-9-5-6-10(20-21(9)11)23-12-17-7-3-1-2-4-8(7)22-12/h1-6H

InChI key: InChIKey=MLFQEDOERZOCOT-UHFFFAOYSA-N

SMILES: C(Cl)(F)(F)C=1N2C(=NN1)C=CC(SC3=NC=4C(S3)=CC=CC4)=N2

Synonyms:

• 1,2,4-Triazolo[4,3-b]pyridazine, 6-(2-benzothiazolylthio)-3-(chlorodifluoromethyl)-
• 6-(2-Benzothiazolylthio)-3-(chlorodifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazine