sulfuroyl difluoride

• ChemBase ID: 129666
• Molecular Formular: F2O2S
• Molecular Mass: 102.0606064
• Monoisotopic Mass: 101.95870668
• SMILES: FS(=O)(=O)F
• Canonical SMILES: FS(=O)(=O)F
• InChI: InChI=1S/F2O2S/c1-5(2,3)4
• InChIKey: OBTWBSRJZRCYQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfuroyl difluoride
• IUPAC Traditional name: sulfonyl fluoride
• Synonyms: Sulfonyl fluoride; Sulfur dioxide difluoride; Sulphuryl fluoride; Sulfuryl difluoride; Sulfuryl fluoride

Database IDs

• CAS Number: 2699-79-8
• PubChem SID: 162223955
• PubChem CID: 17607
• CHEBI ID: 39287
• Chemspider ID: 16647
• Wikipedia Title: Sulfuryl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.11406211
• LogD (pH = 7.4): 0.11406211
• Log P: 0.11406211
• Molar Refractivity: 11.6442 cm^3
• Polarizability: 5.1897306 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: low in water; SO₂
• Apperance: colourless gas
• Melting Point: -124.7°C
• Boiling Point: -55.4°C
• Density: 4.172 g/L (gas), 1.632 g/mL (liquid under compressed gas at 0 °C)

Safety Information

• Main Hazard: toxic
• NFPA704:
  

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