calcium sulfite

• ChemBase ID: 108551
• Molecular Formular: CaO3S
• Molecular Mass: 120.1412
• Monoisotopic Mass: 119.91940584
• SMILES: [Ca+2].[O-]S(=O)[O-]
• Canonical SMILES: [O-]S(=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2
• InChIKey: GBAOBIBJACZTNA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium sulfite
• IUPAC Traditional name: calcium(2+) sulfite; calcium sulfite
• Synonyms: CALCIUM SULFITE; Sulfurous acid, calcium salt (1:1); E226

Database IDs

• CAS Number: 10257-55-3
• PubChem SID: 162094323
• PubChem CID: 159274; 10154041
• Chemspider ID: 8329549
• Wikipedia Title: Calcium_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: 0.0043 g/100 mL, 18C in water
• Melting Point: 600°C
• Flash Point: Non-flammable

Safety Information

• EU Index: Not listed