bis($l^{1}-thallanylium) sulfite

• ChemBase ID: 107186
• Molecular Formular: O3STl2
• Molecular Mass: 488.8298
• Monoisotopic Mass: 489.90566886
• SMILES: [Tl+].[Tl+].[O-]S(=O)[O-]
• Canonical SMILES: [O-]S(=O)[O-].[Tl+].[Tl+]
• InChI: InChI=1S/H2O3S.2Tl/c1-4(2)3;;/h(H2,1,2,3);;/q;2*+1/p-2
• InChIKey: IMFKJQXIWFBWIC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis($l^{1}-thallanylium) sulfite
• IUPAC Traditional name: dithallium(1+) sulfite
• Synonyms: THALLIUM SULFITE

Database IDs

• CAS Number: 13453-46-5
• PubChem SID: 162093419
• PubChem CID: 25022207

CALCULATED PROPERTIES

• Acid pKa: -3.669346
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.4606745
• LogD (pH = 7.4): -3.4734561
• Log P: -1.1546873
• Molar Refractivity: 10.0845 cm^3
• Polarizability: 5.3231616 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202868

MP Biomedicals Rare Chemical collection