tin(2+) ion trifluoromethanesulfonate

• ChemBase ID: 99121
• Molecular Formular: CF3O3SSn+
• Molecular Mass: 267.7701096
• Monoisotopic Mass: 268.85421852
• SMILES: [Sn+2].S(=O)(=O)(C(F)(F)F)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.[Sn+2]
• InChI: InChI=1S/CHF3O3S.Sn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+2/p-1
• InChIKey: IZICSWRWPHAWLH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(2+) ion trifluoromethanesulfonate
• IUPAC Traditional name: tin, ion (sn2+) triflate
• Synonyms: Tin(II) trifluoromethanesulphonate, tech.

Database IDs

• CAS Number: 62086-04-8
• MDL Number: MFCD00191251
• PubChem SID: 162085418
• PubChem CID: 44717640

CALCULATED PROPERTIES

• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic/Keep Cold/Store under Argon