ChemSpider 2D Image | 4-[2-(Methylsulfonyl)ethyl]dihydro-3(2H)-thiophenone | C7H12O3S2

4-[2-(Methylsulfonyl)ethyl]dihydro-3(2H)-thiophenone

  • Molecular FormulaC7H12O3S2
  • Average mass208.298 Da
  • Monoisotopic mass208.022781 Da
  • ChemSpider ID46102779

More details:

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

3(2H)-Thiophenone, dihydro-4-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
4-[2-(Methylsulfonyl)ethyl]dihydro-3(2H)-thiophenon [German] [ACD/IUPAC Name]
4-[2-(Methylsulfonyl)ethyl]dihydro-3(2H)-thiophenone [ACD/IUPAC Name]
4-[2-(Méthylsulfonyl)éthyl]dihydro-3(2H)-thiophénone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 418.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±23.2 °C
Index of Refraction: 1.530
Molar Refractivity: 49.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.56
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.56
Polar Surface Area: 85 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 159.8±3.0 cm3

Click to predict properties on the Chemicalize site


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