(2-chloroethanesulfonyl)ethene

• ChemBase ID: 286658
• Molecular Formular: C4H7ClO2S
• Molecular Mass: 154.61518
• Monoisotopic Mass: 153.98552814
• SMILES: S(=O)(=O)(C=C)CCCl
• Canonical SMILES: ClCCS(=O)(=O)C=C
• InChI: InChI=1S/C4H7ClO2S/c1-2-8(6,7)4-3-5/h2H,1,3-4H2
• InChIKey: XSFWXFNRRQJFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethanesulfonyl)ethene
• IUPAC Traditional name: (2-chloroethanesulfonyl)ethene
• Synonyms: [(2-chloroethane)sulfonyl]ethene

Database IDs

• MDL Number: MFCD19232200
• PubChem SID: 180672189
• PubChem CID: 15150046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24805519
• LogD (pH = 7.4): 0.24805519
• Log P: 0.24805519
• Molar Refractivity: 32.9163 cm^3
• Polarizability: 13.952515 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.461

Product Information

• Purity: 95%