methanesulfonyl cyanide

• ChemBase ID: 172687
• Molecular Formular: C2H3NO2S
• Molecular Mass: 105.11572
• Monoisotopic Mass: 104.98844934
• SMILES: S(=O)(=O)(C)C#N
• Canonical SMILES: N#CS(=O)(=O)C
• InChI: InChI=1S/C2H3NO2S/c1-6(4,5)2-3/h1H3
• InChIKey: QEIOAAJCOKZGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanesulfonyl cyanide
• IUPAC Traditional name: methanesulfonyl cyanide
• Synonyms: Methylsulfonyl Cyanide; Methanesulfonyl Cyanide

Database IDs

• CAS Number: 24225-08-9
• PubChem SID: 164228597
• PubChem CID: 90422

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8638876
• LogD (pH = 7.4): -0.8638876
• Log P: -0.8638876
• Molar Refractivity: 21.2429 cm^3
• Polarizability: 8.595258 Å^3
• Polar Surface Area: 57.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true