ChemSpider 2D Image | 4-{[2-(Methylsulfonyl)ethyl]sulfanyl}-2-butanone | C7H14O3S2

4-{[2-(Methylsulfonyl)ethyl]sulfanyl}-2-butanone

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID43675722

More details:

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

2-Butanone, 4-[[2-(methylsulfonyl)ethyl]thio]- [ACD/Index Name]
4-{[2-(Methylsulfonyl)ethyl]sulfanyl}-2-butanon [German] [ACD/IUPAC Name]
4-{[2-(Methylsulfonyl)ethyl]sulfanyl}-2-butanone [ACD/IUPAC Name]
4-{[2-(Méthylsulfonyl)éthyl]sulfanyl}-2-butanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±24.6 °C
Index of Refraction: 1.495
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.47
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.47
Polar Surface Area: 85 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 176.2±3.0 cm3

Click to predict properties on the Chemicalize site


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