dibismuth(3+) ion trisulfate

• ChemBase ID: 110090
• Molecular Formular: Bi2O12S3
• Molecular Mass: 706.1486
• Monoisotopic Mass: 705.81598444
• SMILES: [Bi+3].[Bi+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Bi+3].[Bi+3]
• InChI: InChI=1S/2Bi.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
• InChIKey: BEQZMQXCOWIHRY-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dibismuth(3+) ion trisulfate
• IUPAC Traditional name: dibismuth(3+) ion trisulfate
• Synonyms: BISMUTH SULFATE

Database IDs

• CAS Number: 7787-68-0
• PubChem SID: 162095398
• PubChem CID: 198144

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213705

MP Biomedicals Rare Chemical collection