2H-1,3,4-oxathiazol-2-one

• ChemBase ID: 128768
• Molecular Formular: C2HNO2S
• Molecular Mass: 103.09984
• Monoisotopic Mass: 102.97279928
• SMILES: O=c1ocns1
• Canonical SMILES: O=c1ocns1
• InChI: InChI=1S/C2HNO2S/c4-2-5-1-3-6-2/h1H
• InChIKey: PJCFLHUCYONHAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-1,3,4-oxathiazol-2-one
• IUPAC Traditional name: 1,3,4-oxathiazol-2-one
• Synonyms: Oxathiazolone

Database IDs

• CAS Number: 64487-69-0
• PubChem SID: 162223072
• PubChem CID: 22114966
• Wikipedia Title: Oxathiazolone

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9311929
• LogD (pH = 7.4): 0.93119305
• Log P: 0.93119305
• Molar Refractivity: 21.2188 cm^3
• Polarizability: 8.449626 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true