Description

S-(Trifluoromethyl) 4-methoxybenzothioate (CAS No. 1927969-11-6) is a high-purity organosulfur compound with the molecular formula C₉H₇F₃O₂S. This specialty chemical features a trifluoromethylthio (SCF₃) group, a highly sought-after moiety in medicinal chemistry and agrochemical research due to its unique electronic and lipophilic properties. The compound’s IUPAC name is S-(trifluoromethyl) 4-methoxybenzenecarbothioate, and it is also known by the identifier G90148.

Our product is synthesized under strict quality control measures to ensure ≥95% purity (HPLC), with comprehensive characterization including ¹H NMR, ¹³C NMR, and mass spectrometry data available upon request. The compound is supplied as a stable solid at room temperature, packaged under inert atmosphere to prevent degradation. Suitable for use as: a building block in pharmaceutical development, a precursor for trifluoromethylthiolation reactions, or as a reference standard in analytical applications.

Properties

• CAS Number: 1927969-11-6
• Complexity: 222
• IUPAC Name: S-(trifluoromethyl) 4-methoxybenzenecarbothioate
• InChI: InChI=1S/C9H7F3O2S/c1-14-7-4-2-6(3-5-7)8(13)15-9(10,11)12/h2-5H,1H3
• InChI Key: FSFCLRLHFWFBQR-UHFFFAOYSA-N
• Exact Mass: 236.01188512
• Molecular Formula: C9H7F3O2S
• Molecular Weight: 236.21
• SMILES: COC1=CC=C(C=C1)C(=O)SC(F)(F)F
• Topological: 51.6
• Monoisotopic Mass: 236.01188512
• Synonyms: S-(Trifluoromethyl) 4-methoxybenzothioate, 1927969-11-6, G90148

Application

S-(Trifluoromethyl) 4-methoxybenzothioate serves as a versatile intermediate in organic synthesis, particularly for introducing the SCF₃ group into target molecules. Researchers utilize this compound in medicinal chemistry to enhance drug candidates’ metabolic stability and membrane permeability. The 4-methoxybenzoyl moiety provides additional synthetic handles for further functionalization, making it valuable for structure-activity relationship studies in drug discovery programs.

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