magnesium(2+) ion 1-oxo-1$l^{6}-disulfene-1,1-bis(olate) hexahydrate

• ChemBase ID: 104272
• Molecular Formular: H12MgO9S2
• Molecular Mass: 244.52488
• Monoisotopic Mass: 243.97731566
• SMILES: O.O.O.O.O.O.[Mg+2].[O-]S(=O)(=S)[O-]
• Canonical SMILES: [O-]S(=S)(=O)[O-].O.O.O.O.O.O.[Mg+2]
• InChI: InChI=1S/Mg.H2O3S2.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2
• InChIKey: CQDMJJVHDPDPHO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion 1-oxo-1$l^{6}-disulfene-1,1-bis(olate) hexahydrate; magnesium(2+) ion 1-oxo-1λ^6-disulfene-1,1-bis(olate) hexahydrate
• IUPAC Traditional name: magnesium(2+) hypo hexahydrate; magnesium(2+) ion hypo hexahydrate
• Synonyms: MAGNESIUM THIOSULFATE; 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: MFCD00169874
• PubChem SID: 162092737
• PubChem CID: 26002

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: H2O: soluble1 M at 20 °C, clear, colorless

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OM4610000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Impurities: <0.0005% Phosphorus (P); <0.1% Insoluble matter
• Cation Traces: Al: <0.0005%; Ca: <0.05%; Cu: <0.0005%; Fe: <0.0005%; K: <0.005%; Na: <0.005%; NH4+: <0.05%; Pb: <0.001%; Zn: <0.0005%
• Product Line: BioXtra
• Linear Formula: MgS2O3 · 6H2O

DETAILS

MP Biomedicals - 02155304

Hexahydrate