magnesium(2+) ion 1-oxo-1λ6-disulfene-1,1-bis(olate)

• ChemBase ID: 303838
• Molecular Formular: MgO3S2
• Molecular Mass: 136.4332
• Monoisotopic Mass: 135.91392756
• SMILES: [O-]S(=O)(=S)[O-].[Mg+2]
• Canonical SMILES: [O-]S(=S)(=O)[O-].[Mg+2]
• InChI: InChI=1S/Mg.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
• InChIKey: TZKHCTCLSRVZEY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion 1-oxo-1λ^6-disulfene-1,1-bis(olate)
• IUPAC Traditional name: magnesium(2+) ion Hypo
• Synonyms: Magnesium hyposulfite; Magnesium thiosulfate hexahydrate; 硫代硫酸镁六水合物

Database IDs

• CAS Number: 13446-30-5
• EC Number: 233-340-5
• MDL Number: MFCD00169871
• Merck Index: 145694

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1907825
• LogD (pH = 7.4): -2.3771908
• Log P: 0.048317563
• Molar Refractivity: 19.5183 cm^3
• Polarizability: 9.065478 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water. Insoluble in alcohol
• Apperance: Crystalline
• Melting Point: 170°C (-3H2O)
• Density: 1.818

Safety Information

• RTECS: OM4610000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%