6-methyl-3,4-dihydro-1,2λ6,3-oxathiazine-2,2,4-trione potassium hydride

• ChemBase ID: 312796
• Molecular Formular: C4H5KNO4S
• Molecular Mass: 202.2501
• Monoisotopic Mass: 201.95763533
• SMILES: O1S(=O)(=O)NC(=O)C=C1C.[K]
• Canonical SMILES: O=C1C=C(C)OS(=O)(=O)N1.[K]
• InChI: InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6)
• InChIKey: AHRFRRASJMTTQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3,4-dihydro-1,2λ^6,3-oxathiazine-2,2,4-trione potassium hydride
• IUPAC Traditional name: acesulfame potassium hydride
• Synonyms: Acesulfame Potassium

Database IDs

• CAS Number: 55589-62-3

CALCULATED PROPERTIES

• Acid pKa: 3.0168858
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4835545
• LogD (pH = 7.4): -1.4943326
• Log P: -0.55152774
• Molar Refractivity: 33.5376 cm^3
• Polarizability: 13.449602 Å^3
• Polar Surface Area: 72.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Potassium Salt