nickel(2+) ion diethanesulfonate

• ChemBase ID: 303617
• Molecular Formular: C4H10NiO6S2
• Molecular Mass: 276.942
• Monoisotopic Mass: 275.92722294
• SMILES: CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].[Ni+2]
• Canonical SMILES: CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].[Ni+2]
• InChI: InChI=1S/2C2H6O3S.Ni/c2*1-2-6(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2
• InChIKey: RNPQHYMTACDEHT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion diethanesulfonate
• IUPAC Traditional name: nickel(2+) ion diethanesulfonate
• Synonyms: Ethanesulfonic acid nickel salt hydrate; 乙烷磺酸镍盐水合物

Database IDs

• MDL Number: MFCD00070546

CALCULATED PROPERTIES

• Acid pKa: -1.2983367
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.8277588
• LogD (pH = 7.4): -2.827775
• Log P: -0.4513764
• Molar Refractivity: 20.2822 cm^3
• Polarizability: 9.088028 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A