ChemSpider 2D Image | 3-(Isobutylsulfanyl)-1-(4-thiomorpholinyl)-1-propanone | C11H21NOS2

3-(Isobutylsulfanyl)-1-(4-thiomorpholinyl)-1-propanone

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID26087990

More details:






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

1-Propanone, 3-[(2-methylpropyl)thio]-1-(4-thiomorpholinyl)- [ACD/Index Name]
3-(Isobutylsulfanyl)-1-(4-thiomorpholinyl)-1-propanon [German] [ACD/IUPAC Name]
3-(Isobutylsulfanyl)-1-(4-thiomorpholinyl)-1-propanone [ACD/IUPAC Name]
3-(Isobutylsulfanyl)-1-(4-thiomorpholinyl)-1-propanone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 406.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.5±27.3 °C
Index of Refraction: 1.539
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.25
ACD/KOC (pH 5.5): 1329.42
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.25
ACD/KOC (pH 7.4): 1329.42
Polar Surface Area: 71 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 225.1±3.0 cm3

Click to predict properties on the Chemicalize site






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