S-(Trifluoromethyl) benzenesulfonothioate

• Catalog: OFC15398966
• CAS: 15398-96-6
• Category: Trifluoromethylthiolation Agents
• Synonyms: Benzenethiosulfonic Acid S-(Trifluoromethyl) Ester
• Purity: 97%

• IUPAC Name: trifluoromethylsulfanylsulfonylbenzene
• InChI: InChI=1S/C7H5F3O2S2/c8-7(9,10)13-14(11,12)6-4-2-1-3-5-6/h1-5H
• InChI Key: VJKJRLIFMWSBNO-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F

• Molecular Formula: C7H5F3O2S2
• Molecular Weight: 242.24
• Storage: Keep in dark place, inert atmosphere; Store in freezer, under -20°C

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.96830623 g/mol
• Monoisotopic Mass: 241.96830623 g/mol
• Topological Polar Surface Area: 67.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 272