dipotassium methanedisulfonate

• ChemBase ID: 141926
• Molecular Formular: CH2K2O6S2
• Molecular Mass: 252.34958
• Monoisotopic Mass: 251.85669314
• SMILES: C(S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]S(=O)(=O)CS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/CH4O6S2.2K/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;/q;2*+1/p-2
• InChIKey: JSXPCVUETJIQHE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium methanedisulfonate
• IUPAC Traditional name: dipotassium methanedisulfonate
• Synonyms: Potassium methanedisulfonate; Methanedisulfonic acid dipotassium salt; 甲烷二磺酸二钾盐; 甲基二磺酸 二钾盐

Database IDs

• CAS Number: 6291-65-2
• EC Number: 228-543-0
• MDL Number: MFCD06411713
• PubChem SID: 24890021; 162236159
• PubChem CID: 6096967

CALCULATED PROPERTIES

• Acid pKa: -2.4505644
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -6.2796154
• LogD (pH = 7.4): -6.2796216
• Log P: -1.5268242
• Molar Refractivity: 24.3421 cm^3
• Polarizability: 12.174816 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Purity: ≥99.0% (T)
• Impurities: ≤1% water
• Linear Formula: CH2(SO3K)2

DETAILS

Sigma Aldrich - 94589

Packaging
50, 250 g in poly bottle