5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

• Catalog: OFC112359258
• CAS: 112359-25-8
• Category: Trifluoromethylation Agents
• Purity: >98%

• IUPAC Name: 5-methyldibenzothiophen-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
• InChI Key: ROHWBLNJJVPWCN-UHFFFAOYSA-M
• Isomeric SMILES: C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]

• Molecular Formula: C14H11F3O3S2
• Molecular Weight: 348.36
• 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: 348.01017104 g/mol
• Monoisotopic Mass: 348.01017104 g/mol
• Topological Polar Surface Area: 66.6Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 336