disodium sulfonatosulfonate

• ChemBase ID: 111281
• Molecular Formular: Na2O6S2
• Molecular Mass: 206.10594
• Monoisotopic Mass: 205.89316828
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/2Na.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
• InChIKey: CSMWJXBSXGUPGY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium sulfonatosulfonate
• IUPAC Traditional name: dipotassium dithionate; disodium dithionate
• Synonyms: Sodium Hydrosulfite; Sodium hypodisulfite; Sodium sulfoxylate; SODIUM DITHIONATE; Sodium metabisulfate

Database IDs

• CAS Number: 7631-94-9
• EC Number: 231-550-1
• PubChem SID: 162097132
• PubChem CID: 146045
• Chemspider ID: 128833
• Wikipedia Title: Sodium_dithionate

CALCULATED PROPERTIES

• Acid pKa: -3.452421
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.988697
• LogD (pH = 7.4): -5.988699
• Log P: -1.2359016
• Molar Refractivity: 20.169 cm^3
• Polarizability: 10.431457 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 6.05wt%(0 °C); 10.63wt%(12 °C); 13.39wt%(20 °C); 17.32wt%(30 °C) in water
• Apperance: White crystalline powder.
• Melting Point: 52 °C(325.15 K) (decomp.)
• Boiling Point: Decomposes.
• Density: ? g/cm^3, solid.

Safety Information

• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• Risk Statements: R:22-35
• Safety Statements: S:26-28-45-7/8