Description

S-(Fluoromethyl) benzenesulfonothioate (CAS No. 2126930-70-7) is a high-purity organosulfur compound with the molecular formula C₇H₇FO₂S₂. This chemical, also known by its IUPAC name fluoromethylsulfanylsulfonylbenzene, features a benzenesulfonothioate backbone with a reactive fluoromethyl group, making it a versatile intermediate for synthetic chemistry applications. Its unique structure enables selective functionalization in nucleophilic substitution reactions, particularly in pharmaceutical and agrochemical research. Available in >95% purity (HPLC/GC), this compound is supplied in amber glass vials under inert gas to ensure stability. Ideal for cross-coupling reactions, fluorination studies, and as a sulfonyl transfer agent. SDS and analytical data available upon request.

Properties

• CAS Number: 2126930-70-7
• Complexity: 214
• IUPAC Name: fluoromethylsulfanylsulfonylbenzene
• InChI: InChI=1S/C7H7FO2S2/c8-6-11-12(9,10)7-4-2-1-3-5-7/h1-5H,6H2
• InChI Key: AIAODUGEDTYNTC-UHFFFAOYSA-N
• Exact Mass: 205.98714997
• Molecular Formula: C7H7FO2S2
• Molecular Weight: 206.3
• SMILES: C1=CC=C(C=C1)S(=O)(=O)SCF
• Topological: 67.8
• Monoisotopic Mass: 205.98714997
• Synonyms: S-(Fluoromethyl) benzenesulfonothioate, 2126930-70-7, SCHEMBL29026593, {[(fluoromethyl)sulfanyl]sulfonyl}benzene, CS-0140429

Application

S-(Fluoromethyl) benzenesulfonothioate serves as a key building block in medicinal chemistry for introducing fluoromethylthio (–SCH₂F) motifs, a bioisostere for improved metabolic stability. Researchers utilize it in PET tracer development due to the fluorine-18 radiolabeling potential. The compound also finds use in material science for sulfonyl-containing polymer precursors. Its reactivity in Pd-catalyzed couplings makes it valuable for constructing sulfur-rich heterocycles.

If you are interested or have any questions, please contact us at support@atomfair.com

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