sulfanone

• ChemBase ID: 129657
• Molecular Formular: OS
• Molecular Mass: 48.0644
• Monoisotopic Mass: 47.96698562
• SMILES: O=S
• Canonical SMILES: O=S
• InChI: InChI=1S/OS/c1-2
• InChIKey: XTQHKBHJIVJGKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanone
• IUPAC Systematic name: Oxidosulfur
• IUPAC Traditional name: sulfur monoxide
• Synonyms: Sulfur monoxide

Database IDs

• CAS Number: 13827-32-2
• Beilstein Number: 7577656
• PubChem SID: 162223946
• PubChem CID: 114845
• CHEBI ID: 45822
• CHEMBL: 1236102
• Chemspider ID: 102805
• Gmelin ID: 666
• MeSH Name: sulfur+monoxide
• Wikipedia Title: Sulfur_monoxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6126379
• LogD (pH = 7.4): 0.6126379
• Log P: 0.6126379
• Molar Refractivity: 10.8767 cm^3
• Polarizability: 4.5879197 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Colourless gas
• Partition Coefficient: 0.155
• Std enthalpy of formation: 5.01 kJ mol^-1
• Std molar entropy: 221.94 J K^-1 mol^-1

Safety Information

• NFPA704:
  

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