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Atomfair S-(Trifluoromethyl) benzenesulfonothioate C7H5F3O2S2 CAS 15398-96-6

S-(Trifluoromethyl) benzenesulfonothioate (CAS No. 15398-96-6) is a high-purity organosulfur compound with the molecular formula C7H5F3O2S2, widely utilized in advanced chemical synthesis and pharmaceutical research. This compound, also known by its IUPAC name trifluoromethylsulfanylsulfonylbenzene , features a benzene ring core functionalized with a trifluoromethylthio ( -SCF3) and a sulfonyl ( -SO2) group, offering unique reactivity for nucleophilic and electrophilic transformations. Its exceptional stability under rigorous conditions makes it ideal for constructing fluorinated scaffolds in medicinal chemistry and agrochemical development. Available in >98% purity (HPLC/GC), it is supplied in sealed amber vials under inert gas to ensure longevity. Compatible with Grignard reactions,…

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Description

S-(Trifluoromethyl) benzenesulfonothioate (CAS No. 15398-96-6) is a high-purity organosulfur compound with the molecular formula C7H5F3O2S2, widely utilized in advanced chemical synthesis and pharmaceutical research. This compound, also known by its IUPAC name trifluoromethylsulfanylsulfonylbenzene, features a benzene ring core functionalized with a trifluoromethylthio (-SCF3) and a sulfonyl (-SO2) group, offering unique reactivity for nucleophilic and electrophilic transformations. Its exceptional stability under rigorous conditions makes it ideal for constructing fluorinated scaffolds in medicinal chemistry and agrochemical development. Available in >98% purity (HPLC/GC), it is supplied in sealed amber vials under inert gas to ensure longevity. Compatible with Grignard reactions, cross-coupling methodologies, and radical fluorination processes, this reagent is a critical asset for researchers exploring sulfur-fluorine chemistry. MSDS and NMR spectra are provided with each batch for quality assurance.

Properties

  • CAS Number: 15398-96-6
  • Complexity: 272
  • IUPAC Name: trifluoromethylsulfanylsulfonylbenzene
  • InChI: InChI=1S/C7H5F3O2S2/c8-7(9,10)13-14(11,12)6-4-2-1-3-5-6/h1-5H
  • InChI Key: VJKJRLIFMWSBNO-UHFFFAOYSA-N
  • Exact Mass: 241.96830623
  • Molecular Formula: C7H5F3O2S2
  • Molecular Weight: 242.2
  • SMILES: C1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F
  • Topological: 67.8
  • Monoisotopic Mass: 241.96830623
  • Synonyms: S-(Trifluoromethyl) benzenesulfonothioate, 15398-96-6, Benzenethiosulfonic acid S-(trifluoromethyl) ester, SCHEMBL11130216, VJKJRLIFMWSBNO-UHFFFAOYSA-N, trifluoromethylsulfanylsulfonylbenzene, MFCD34646531, F88839

Application

S-(Trifluoromethyl) benzenesulfonothioate serves as a versatile trifluoromethylthiolation reagent in pharmaceutical intermediates, enabling the introduction of -SCF3 groups into bioactive molecules to enhance metabolic stability. It is employed in palladium-catalyzed cross-coupling reactions for constructing aryl-SCF3 bonds in drug discovery. The compound also acts as a precursor for fluorinated polymer modifiers, improving material properties in specialty coatings. Researchers utilize it to develop PET radiotracers due to the favorable pharmacokinetics of -SCF3 moieties.

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Disclaimer

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This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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