Description

2-(Difluoromethylsulfonyl)benzothiazole (CAS No. 186204-66-0) is a high-purity specialty chemical with the molecular formula C₈H₅F₂NO₂S₂ and IUPAC name 2-(difluoromethylsulfonyl)-1,3-benzothiazole. This heterocyclic sulfone compound features a benzothiazole core functionalized with a difluoromethylsulfonyl group, offering unique reactivity for advanced synthetic applications. Our product is rigorously analyzed by HPLC, GC/MS, and NMR to ensure ≥98% purity, making it ideal for pharmaceutical intermediates, agrochemical research, and materials science. Supplied as a crystalline solid with documented stability under inert conditions, it is packaged in amber glass vials with argon blanket to prevent degradation. Technical data sheets include detailed spectral characterization (FTIR, ¹H/¹³C/¹⁹F NMR) and safety documentation compliant with GHS standards.

Properties

• CAS Number: 186204-66-0
• Complexity: 328
• IUPAC Name: 2-(difluoromethylsulfonyl)-1,3-benzothiazole
• InChI: InChI=1S/C8H5F2NO2S2/c9-7(10)15(12,13)8-11-5-3-1-2-4-6(5)14-8/h1-4,7H
• InChI Key: SHKGYNFSRWBSDZ-UHFFFAOYSA-N
• Exact Mass: 248.97297707
• Molecular Formula: C8H5F2NO2S2
• Molecular Weight: 249.3
• SMILES: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)C(F)F
• Topological: 83.7
• Monoisotopic Mass: 248.97297707
• Synonyms: 186204-66-0, 2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 2-(difluoromethylsulfonyl)benzothiazole, Benzothiazole, 2-[(difluoromethyl)sulfonyl]-, 2-(difluoromethylsulfonyl)-1,3-benzothiazole, MFCD01831028, 2-difluoromethanesulfonyl-1,3-benzothiazole, 2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%, C8H5F2NO2S2, SCHEMBL21682157, SHKGYNFSRWBSDZ-UHFFFAOYSA-N, STL560236, AKOS037517103, 2-[(Difluoromethyl)sulfonyl]benzothiazole, SY317562, WS-03226, CS-0159031, 2-(di-fluoromethanesulfonyl)-1,3-benzothiazole, E74220, 2-[(difluoromethyl)sulfonyl]-1,3-benzothiazole, Z56777556

Application

This compound serves as a versatile building block in medicinal chemistry, particularly for developing kinase inhibitors and antiviral agents through its reactive sulfonyl moiety. Researchers utilize it in palladium-catalyzed cross-coupling reactions to construct complex heterocyclic systems for drug discovery programs. The difluoromethyl group enhances metabolic stability in bioactive molecules, making it valuable for PET tracer development and agrochemical optimization.

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