ChemSpider 2D Image | 1-(3-Methyl-1,1-dioxido-4-thiomorpholinyl)-2-sulfanylethanone | C7H13NO3S2

1-(3-Methyl-1,1-dioxido-4-thiomorpholinyl)-2-sulfanylethanone

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID52047951

More details:

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

1-(3-Methyl-1,1-dioxido-4-thiomorpholinyl)-2-sulfanylethanon [German] [ACD/IUPAC Name]
1-(3-Methyl-1,1-dioxido-4-thiomorpholinyl)-2-sulfanylethanone [ACD/IUPAC Name]
1-(3-Méthyl-1,1-dioxydo-4-thiomorpholinyl)-2-sulfanyléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-mercapto-1-(3-methyl-1,1-dioxido-4-thiomorpholinyl)- [ACD/Index Name]
1598280-53-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.8±27.3 °C
Index of Refraction: 1.539
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.33
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.03
Polar Surface Area: 102 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

Click to predict properties on the Chemicalize site


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