potassium O-(hydroperoxysulfinyl)oxidanidolate

• ChemBase ID: 129074
• Molecular Formular: HKO4S
• Molecular Mass: 136.16884
• Monoisotopic Mass: 135.92326119
• SMILES: [K+].[O-]S(=O)OO
• Canonical SMILES: [O-]S(=O)OO.[K+]
• InChI: InChI=1S/K.H2O4S/c;1-4-5(2)3/h;1H,(H,2,3)/q+1;/p-1
• InChIKey: GZHFEBOLZPYNER-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium O-(hydroperoxysulfinyl)oxidanidolate
• IUPAC Traditional name: potassium O-(hydroperoxysulfinyl)oxidanidolate
• Synonyms: Caroat; Oxone; potassium monopersulfate; MPS; Potassium peroxymonosulfate

Database IDs

• CAS Number: 10361-76-9
• PubChem SID: 162223373
• PubChem CID: 23707502
• Chemspider ID: 55384
• Wikipedia Title: Potassium_peroxymonosulfate

CALCULATED PROPERTIES

• Acid pKa: -4.113174
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2779422
• LogD (pH = 7.4): -3.4886816
• Log P: -0.96863705
• Molar Refractivity: 12.5564 cm^3
• Polarizability: 6.4081306 Å^3
• Polar Surface Area: 69.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water
• Apperance: off-white powder

Safety Information

• EU Index: Not listed
• Main Hazard: Oxidant, Corrosive
• NFPA704:
  

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