ChemSpider 2D Image | 1-{[(Methylsulfonyl)methyl]sulfonyl}-3-azetidinamine | C5H12N2O4S2

1-{[(Methylsulfonyl)methyl]sulfonyl}-3-azetidinamine

  • Molecular FormulaC5H12N2O4S2
  • Average mass228.290 Da
  • Monoisotopic mass228.023849 Da
  • ChemSpider ID44960246

More details:






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

1-{[(Methylsulfonyl)methyl]sulfonyl}-3-azetidinamin [German] [ACD/IUPAC Name]
1-{[(Methylsulfonyl)methyl]sulfonyl}-3-azetidinamine [ACD/IUPAC Name]
1-{[(Méthylsulfonyl)méthyl]sulfonyl}-3-azétidinamine [French] [ACD/IUPAC Name]
3-Azetidinamine, 1-[[(methylsulfonyl)methyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 471.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.1±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 48.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 114 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 143.8±5.0 cm3

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