barium(2+) ion sulfite

• ChemBase ID: 107557
• Molecular Formular: BaO3S
• Molecular Mass: 217.3902
• Monoisotopic Mass: 217.86206186
• SMILES: [Ba+2].[O-]S(=O)[O-]
• Canonical SMILES: [O-]S(=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2
• InChIKey: ARSLNKYOPNUFFY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion sulfite
• IUPAC Traditional name: barium(2+) sulfite; barium(2+) ion sulfite
• Synonyms: BARIUM SULFITE

Database IDs

• CAS Number: 7787-39-5
• PubChem SID: 162095095
• PubChem CID: 6096951; 516931
• Chemspider ID: 450991
• Wikipedia Title: Barium_sulfite

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

PROPERTIES

Physical Property

• Solubility: 0.0011 g/100 mL in water; insoluble in ethanol
• Apperance: white monoclinic crystals
• Melting Point: decomposes
• Density: 4.44 g/cm^3

DETAILS

MP Biomedicals - 05204153

MP Biomedicals Rare Chemical collection