tin(4+) ion diacetate dihydride

• ChemBase ID: 178659
• Molecular Formular: C4H6O4Sn++
• Molecular Mass: 236.78904
• Monoisotopic Mass: 237.92880267
• SMILES: [Sn+4].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Sn+4]
• InChI: InChI=1S/2C2H4O2.Sn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+4/p-2
• InChIKey: BCHNAWAIRDXOOE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(4+) ion diacetate dihydride
• IUPAC Traditional name: tin(4+) ion diacetate dihydride
• Synonyms: Acetic Acid Tin(2+) Salt; Tin Acetate (Sn(OAc)2); Stannous Acetate; Tin Acetate; Tin Acetate (Sn(MeCO2)2); Tin acetate (Sn(O2C2H3)2); Tin diacetate; Tin(II) Acetate; Tin(II) Acetate

Database IDs

• CAS Number: 638-39-1
• PubChem SID: 164234569
• PubChem CID: 71752582

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: >213°C (dec.)

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - T444080

Tin(II) Acetate is used in stannous oral care compositions.

REFERENCES

• Surerus, K., et al.: Biochemistry, 1994, 33, 4980 (1994)