Description

S-(Difluoromethyl) benzenesulfonothioate (CAS: 2022186-75-8) is a high-purity organosulfur compound with the molecular formula C₇H₆F₂O₂S₂. This specialty chemical is characterized by its unique difluoromethylsulfanylsulfonyl functional group, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a stable solid with rigorously verified purity (typically ≥95% by HPLC or GC analysis), ensuring reproducibility in demanding applications. Its IUPAC name, difluoromethylsulfanylsulfonylbenzene, precisely describes the molecular structure where a benzene ring is substituted with both sulfonyl and difluoromethylthio groups. Proper storage at 2-8°C under inert atmosphere is recommended to maintain product integrity. Researchers can request additional analytical data including ¹H NMR, ¹³C NMR, and HRMS spectra for structural verification. This product is intended for research purposes only and is not for human or veterinary use.

Properties

• CAS Number: 2022186-75-8
• Complexity: 240
• IUPAC Name: difluoromethylsulfanylsulfonylbenzene
• InChI: InChI=1S/C7H6F2O2S2/c8-7(9)12-13(10,11)6-4-2-1-3-5-6/h1-5,7H
• InChI Key: NPYLAQOEYDMMJT-UHFFFAOYSA-N
• Exact Mass: 223.97772810
• Molecular Formula: C7H6F2O2S2
• Molecular Weight: 224.3
• SMILES: C1=CC=C(C=C1)S(=O)(=O)SC(F)F
• Topological: 67.8
• Monoisotopic Mass: 223.97772810
• Synonyms: S-(Difluoromethyl) benzenesulfonothioate, 2022186-75-8, starbld0003639, SCHEMBL28094258, NPYLAQOEYDMMJT-UHFFFAOYSA-N, difluoromethylsulfanylsulfonylbenzene, MFCD32070719, AT39352, CS-0132629

Application

S-(Difluoromethyl) benzenesulfonothioate serves as a versatile building block in medicinal chemistry, particularly for the synthesis of sulfur-containing bioactive molecules. The compound’s reactive sulfonothioate moiety enables efficient construction of carbon-sulfur bonds in nucleophilic substitution reactions. Researchers utilize this chemical in developing potential enzyme inhibitors where the difluoromethyl group mimics metabolic intermediates. Its unique structure also finds application in materials science for modifying polymer properties through sulfur incorporation.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.