Description

S-(Trifluoromethyl) [1,1′-biphenyl]-4-carbothioate (CAS No. 1927969-10-5) is a high-purity organosulfur compound with the molecular formula C₁₄H₉F₃OS. This specialized chemical features a biphenyl core functionalized with a trifluoromethylthioate group, offering unique reactivity and stability for advanced synthetic applications. Our product is rigorously characterized by ¹H NMR, ¹³C NMR, and LC-MS to ensure >98% purity (HPLC), meeting the stringent requirements of pharmaceutical research and materials science. Supplied as a crystalline solid under inert atmosphere packaging, this compound is ideal for nucleophilic trifluoromethylthiolation reactions, transition metal catalysis, and as a building block for bioactive molecule development. Each batch is accompanied by comprehensive analytical data and handled in our ISO 9001:2015 certified facilities.

Properties

• CAS Number: 1927969-10-5
• Complexity: 302
• IUPAC Name: S-(trifluoromethyl) 4-phenylbenzenecarbothioate
• InChI: InChI=1S/C14H9F3OS/c15-14(16,17)19-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
• InChI Key: IWAUFDGEGMXCJB-UHFFFAOYSA-N
• Exact Mass: 282.03262057
• Molecular Formula: C14H9F3OS
• Molecular Weight: 282.28
• SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC(F)(F)F
• Topological: 42.4
• Monoisotopic Mass: 282.03262057
• Synonyms: S-(Trifluoromethyl) [1,1′-biphenyl]-4-carbothioate, 1927969-10-5, SCHEMBL27405262, MFCD34563755, BS-47392, F71498, S-(trifluoromethyl) 4-phenylbenzenecarbothioate, S-(Trifluoromethyl) [1,1”-biphenyl]-4-carbothioate

Application

This compound serves as a versatile reagent for introducing the SCF₃ moiety in medicinal chemistry, particularly in the development of protease inhibitors and kinase modulators. Its application extends to materials science for creating advanced liquid crystals and conductive polymers with enhanced thermal stability. Researchers utilize this thioate derivative in Pd-catalyzed cross-coupling reactions to construct complex trifluoromethylthio-containing architectures for drug discovery programs.

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