1,3λ6,4-oxathiazinane-3,3-dione

• ChemBase ID: 309246
• Molecular Formular: C3H7NO3S
• Molecular Mass: 137.15758
• Monoisotopic Mass: 137.01466409
• SMILES: S1(=O)(=O)NCCOC1
• Canonical SMILES: O=S1(=O)COCCN1
• InChI: InChI=1S/C3H7NO3S/c5-8(6)3-7-2-1-4-8/h4H,1-3H2
• InChIKey: CFRCZLVPCCLZFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3λ^6,4-oxathiazinane-3,3-dione
• IUPAC Traditional name: 1,3λ^6,4-oxathiazinane-3,3-dione
• Synonyms: 1,3,4-oxathiazinane 3,3-dioxide

Database IDs

• CAS Number: 863015-82-1
• MDL Number: MFCD09953728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4211956
• LogD (pH = 7.4): -1.4213485
• Log P: -1.4211937
• Molar Refractivity: 27.4058 cm^3
• Polarizability: 11.716027 Å^3
• Polar Surface Area: 55.4 Å^2