ChemSpider 2D Image | [(1E)-3-{[2-(Methylsulfonyl)ethyl]sulfonyl}-1-propen-1-yl]benzene | C12H16O4S2

[(1E)-3-{[2-(Methylsulfonyl)ethyl]sulfonyl}-1-propen-1-yl]benzene

  • Molecular FormulaC12H16O4S2
  • Average mass288.383 Da
  • Monoisotopic mass288.049011 Da
  • ChemSpider ID26132700

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1E)-3-{[2-(Methylsulfonyl)ethyl]sulfonyl}-1-propen-1-yl]benzene [ACD/IUPAC Name]
[(1E)-3-{[2-(Méthylsulfonyl)éthyl]sulfonyl}-1-propén-1-yl]benzène [French] [ACD/IUPAC Name]
[(1E)-3-{[2-(Methylsulfonyl)ethyl]sulfonyl}-1-propen-1-yl]benzol [German] [ACD/IUPAC Name]
Benzene, [(1E)-3-[[2-(methylsulfonyl)ethyl]sulfonyl]-1-propen-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4531436/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 578.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 395.1±22.8 °C
Index of Refraction: 1.563
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 76.55
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 76.55
Polar Surface Area: 85 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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