palladium(2+) ion dipotassium bis(1-oxo-1λ6-disulfene-1,1-bis(olate)) hydrate

• ChemBase ID: 295076
• Molecular Formular: H2K2O7PdS4
• Molecular Mass: 426.88828
• Monoisotopic Mass: 425.69923576
• SMILES: O.[O-]S(=O)(=S)[O-].[O-]S(=O)(=S)[O-].[K+].[K+].[Pd+2]
• Canonical SMILES: [O-]S(=S)(=O)[O-].[O-]S(=S)(=O)[O-].O.[K+].[K+].[Pd+2]
• InChI: InChI=1S/2K.2H2O3S2.H2O.Pd/c;;2*1-5(2,3)4;;/h;;2*(H2,1,2,3,4);1H2;/q2*+1;;;;+2/p-4
• InChIKey: QOHRLWWRKPUXTK-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion dipotassium bis(1-oxo-1λ^6-disulfene-1,1-bis(olate)) hydrate
• IUPAC Traditional name: palladium(2+) ion dipotassium bis(Hypo) hydrate
• Synonyms: Palladium(II) potassium thiosulfate monohydrate; 硫代硫酸钾钯(II)单水合物

Database IDs

• CAS Number: 312624-02-5
• MDL Number: MFCD02684525
• PubChem SID: 180680607
• PubChem CID: 73994984

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

• Apperance: Crystalline

Safety Information

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