Description

Hexafluorothioacetone (CAS No. 1490-33-1) is a highly fluorinated organosulfur compound with the molecular formula C₃F₆S. Also known as 1,1,1,3,3,3-hexafluoropropane-2-thione, this specialized chemical features a thiocarbonyl group (C=S) bonded to two trifluoromethyl (CF₃) groups, imparting unique reactivity and stability. Its high fluorine content makes it valuable in advanced synthetic chemistry, particularly as a building block for fluorinated materials. The compound is supplied as a volatile liquid or gas (depending on conditions) and requires careful handling under inert atmospheres due to its moisture sensitivity. Researchers utilize Hexafluorothioacetone in the development of fluorine-rich polymers, ligands, and pharmaceuticals where enhanced lipophilicity and oxidative stability are desired. Purity is typically ≥95% (GC), with variants available for specific applications.

Properties

• CAS Number: 1490-33-1
• Complexity: 124
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropane-2-thione
• InChI: InChI=1S/C3F6S/c4-2(5,6)1(10)3(7,8)9
• InChI Key: DBNMHLDZMPEZCX-UHFFFAOYSA-N
• Exact Mass: 181.96249015
• Molecular Formula: C3F6S
• Molecular Weight: 182.09
• SMILES: C(=S)(C(F)(F)F)C(F)(F)F
• Topological: 32.1
• Monoisotopic Mass: 181.96249015
• Synonyms: Hexafluorothioacetone, 1,1,1,3,3,3-hexafluoropropane-2-thione, 1490-33-1, 2-Propanethione, 1,1,1,3,3,3-hexafluoro-, Perfluorothioacetone, SCHEMBL2279469, 1,1,1,3,3,3-Hexafluoro-2-propanethione, 1,1,1,3,3,3-hexafluoro-propane-2-thione, 1,1,1,3,3,3-Hexafluoro-2-propanethione #

Application

Hexafluorothioacetone serves as a key precursor in the synthesis of fluorinated heterocycles and sulfur-containing specialty chemicals. It is employed in coordination chemistry to create electron-deficient ligands for transition metal catalysts. The compound’s reactivity with nucleophiles enables the preparation of trifluoromethylthio (SCF₃) derivatives, important motifs in agrochemical and pharmaceutical research. Its thermal stability makes it suitable for high-temperature fluorination processes.

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