(ethenesulfonyl)methanesulfonylethene

• ChemBase ID: 287096
• Molecular Formular: C5H8O4S2
• Molecular Mass: 196.24462
• Monoisotopic Mass: 195.98640074
• SMILES: O=S(=O)(CS(=O)(=O)C=C)C=C
• Canonical SMILES: C=CS(=O)(=O)CS(=O)(=O)C=C
• InChI: InChI=1S/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2
• InChIKey: IJHIIHORMWQZRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethenesulfonyl)methanesulfonylethene
• IUPAC Traditional name: (ethenesulfonyl)methanesulfonylethene
• Synonyms: Bis(vinylsulfonyl)methane

Database IDs

• CAS Number: 3278-22-6
• MDL Number: MFCD03265421
• PubChem SID: 180672627
• PubChem CID: 76764

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7433248
• LogD (pH = 7.4): -0.7433248
• Log P: -0.7433248
• Molar Refractivity: 40.4209 cm^3
• Polarizability: 17.929016 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%