dipotassium 1-oxo-1λ6-disulfene-1,1-bis(olate) hydrate

• ChemBase ID: 137678
• Molecular Formular: H2K2O4S2
• Molecular Mass: 208.34008
• Monoisotopic Mass: 207.8668639
• SMILES: O.[O-]S(=O)(=S)[O-].[K+].[K+]
• Canonical SMILES: [O-]S(=S)(=O)[O-].O.[K+].[K+]
• InChI: InChI=1S/2K.H2O3S2.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2/q2*+1;;/p-2
• InChIKey: RCEMYQVDTALKQN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 1-oxo-1λ^6-disulfene-1,1-bis(olate) hydrate
• IUPAC Traditional name: dipotassium hypo hydrate
• Synonyms: Potassium thiosulfate hydrate; 硫代硫酸钾 水合物

Database IDs

• EC Number: 233-666-8
• MDL Number: MFCD00150405
• PubChem SID: 24866112; 162231940
• PubChem CID: 6096947

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: solid

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Compostion: Degree of hydration, ~0.5
• Linear Formula: K2S2O3 · xH2O