ChemSpider 2D Image | 2-(1-Azepanyl)-1-[3-(methylsulfonyl)-4-thiomorpholinyl]-1-propanone | C14H26N2O3S2

2-(1-Azepanyl)-1-[3-(methylsulfonyl)-4-thiomorpholinyl]-1-propanone

  • Molecular FormulaC14H26N2O3S2
  • Average mass334.498 Da
  • Monoisotopic mass334.138489 Da
  • ChemSpider ID65050149

More details:

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

1-Propanone, 2-(hexahydro-1H-azepin-1-yl)-1-[3-(methylsulfonyl)-4-thiomorpholinyl]- [ACD/Index Name]
2-(1-Azepanyl)-1-[3-(methylsulfonyl)-4-thiomorpholinyl]-1-propanon [German] [ACD/IUPAC Name]
2-(1-Azepanyl)-1-[3-(methylsulfonyl)-4-thiomorpholinyl]-1-propanone [ACD/IUPAC Name]
2-(1-Azépanyl)-1-[3-(méthylsulfonyl)-4-thiomorpholinyl]-1-propanone [French] [ACD/IUPAC Name]
2-(AZEPAN-1-YL)-1-(3-METHANESULFONYLTHIOMORPHOLIN-4-YL)PROPAN-1-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 23.33
Polar Surface Area: 91 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 266.7±5.0 cm3

Click to predict properties on the Chemicalize site


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