2-(ethenesulfonyl)-2-methylpropane

• ChemBase ID: 284647
• Molecular Formular: C6H12O2S
• Molecular Mass: 148.22328
• Monoisotopic Mass: 148.05580062
• SMILES: S(=O)(=O)(C(C)(C)C)C=C
• Canonical SMILES: C=CS(=O)(=O)C(C)(C)C
• InChI: InChI=1S/C6H12O2S/c1-5-9(7,8)6(2,3)4/h5H,1H2,2-4H3
• InChIKey: WWSRTAZVNIIQSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethenesulfonyl)-2-methylpropane
• IUPAC Traditional name: 2-(ethenesulfonyl)-2-methylpropane
• Synonyms: 2-(ethenesulfonyl)-2-methylpropane; 2-methyl-2-(vinylsulfonyl)propane

Database IDs

• CAS Number: 18288-23-8
• MDL Number: MFCD11109754
• PubChem SID: 180670178
• PubChem CID: 5323639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9419034
• LogD (pH = 7.4): 0.9419034
• Log P: 0.9419034
• Molar Refractivity: 37.6262 cm^3
• Polarizability: 15.721191 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Product Information

• Purity: 95%; 98%