5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate

• Catalog: OFC2251781834
• CAS: 2251781-83-4
• Category: Trifluoromethylation Agents
• Purity: >98%

• IUPAC Name: 5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
• InChI: InChI=1S/C13H11S.CHF3O3S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1/i1D3
• InChI Key: ROHWBLNJJVPWCN-NIIDSAIPSA-M
• Isomeric SMILES: [2H]C([2H])([2H])[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]

• Molecular Formula: C14H8D3F3O3S2
• Molecular Weight: 351.38
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 351.02900128 g/mol
• Monoisotopic Mass: 351.02900128 g/mol
• Topological Polar Surface Area: 66.6Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 336