(ethanesulfonyl)ethene

• ChemBase ID: 150572
• Molecular Formular: C4H8O2S
• Molecular Mass: 120.17012
• Monoisotopic Mass: 120.0245005
• SMILES: CCS(=O)(=O)C=C
• Canonical SMILES: CCS(=O)(=O)C=C
• InChI: InChI=1S/C4H8O2S/c1-3-7(5,6)4-2/h3H,1,4H2,2H3
• InChIKey: BJEWLOAZFAGNPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethanesulfonyl)ethene
• IUPAC Traditional name: (ethanesulfonyl)ethene
• Synonyms: Ethyl vinyl sulfone; (ethanesulfonyl)ethene; 乙基乙烯基砜

Database IDs

• CAS Number: 1889-59-4
• EC Number: 217-567-7
• MDL Number: MFCD00007568
• Beilstein Number: 1745130
• PubChem SID: 162244733; 24857075
• PubChem CID: 74680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.0596267
• LogD (pH = 7.4): -0.0596267
• Log P: -0.0596267
• Molar Refractivity: 28.7352 cm^3
• Polarizability: 12.054784 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-119 °C/22 mmHg(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 1.151 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.463(lit.)
• Hydrophobicity(logP): -0.524

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 95%; 98%
• Linear Formula: C2H5S(O)2CH=CH2

DETAILS

Sigma Aldrich - 282839

Packaging
1, 5 g in glass bottle