ethenesulfonyl fluoride

• ChemBase ID: 232954
• Molecular Formular: C2H3FO2S
• Molecular Mass: 110.1074232
• Monoisotopic Mass: 109.98377856
• SMILES: S(=O)(=O)(C=C)F
• Canonical SMILES: C=CS(=O)(=O)F
• InChI: InChI=1S/C2H3FO2S/c1-2-6(3,4)5/h2H,1H2
• InChIKey: BYPHZHGVWNKAFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenesulfonyl fluoride
• IUPAC Traditional name: ethenesulfonyl fluoride
• Synonyms: ethylenesulfonyl fluoride

Database IDs

• CAS Number: 677-25-8
• MDL Number: MFCD00051388
• PubChem SID: 164288864
• PubChem CID: 69612

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24978137
• LogD (pH = 7.4): 0.24978137
• Log P: 0.24978137
• Molar Refractivity: 19.6252 cm^3
• Polarizability: 8.314033 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 123°C
• Hydrophobicity(logP): 0.501

Product Information

• Purity: 95%