potassium hydrogen sulfite

• ChemBase ID: 129054
• Molecular Formular: HKO3S
• Molecular Mass: 120.16944
• Monoisotopic Mass: 119.92834657
• SMILES: OS(=O)[O-].[K+]
• Canonical SMILES: [O-]S(=O)O.[K+]
• InChI: InChI=1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
• InChIKey: DJEHXEMURTVAOE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium hydrogen sulfite
• IUPAC Traditional name: potassium bisulfite
• Synonyms: Potassium bisulfite; potassium bisulphite solutioe; sulfurous acie; monopotassium sale; monopotassium sulfite; Potassium bisulfite

Database IDs

• CAS Number: 7773-03-7
• PubChem SID: 162223354
• PubChem CID: 23663620
• Chemspider ID: 22889
• Wikipedia Title: Potassium_bisulfite

CALCULATED PROPERTIES

• Acid pKa: -3.669346
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4606745
• LogD (pH = 7.4): -3.4734561
• Log P: -1.1546873
• Molar Refractivity: 11.2062 cm^3
• Polarizability: 5.44399 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in alcohol; soluble in water
• Apperance: White crystalline powder
• Melting Point: 190 °C (decomp.)
• Odor: SO₂