ChemSpider 2D Image | N-[2-(Allylsulfanyl)ethyl]-3-thietanamine 1,1-dioxide | C8H15NO2S2

N-[2-(Allylsulfanyl)ethyl]-3-thietanamine 1,1-dioxide

  • Molecular FormulaC8H15NO2S2
  • Average mass221.340 Da
  • Monoisotopic mass221.054413 Da
  • ChemSpider ID71044813

More details:






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

1,1-Dioxyde de N-[2-(allylsulfanyl)éthyl]-3-thiétanamine [French] [ACD/IUPAC Name]
3-Thietanamine, N-[2-(2-propen-1-ylthio)ethyl]-, 1,1-dioxide [ACD/Index Name]
N-[2-(Allylsulfanyl)ethyl]-3-thietanamin-1,1-dioxid [German] [ACD/IUPAC Name]
N-[2-(Allylsulfanyl)ethyl]-3-thietanamine 1,1-dioxide [ACD/IUPAC Name]
1865111-44-9 [RN]
3-((2-(Allylthio)ethyl)amino)thietane 1,1-dioxide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.7±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 57.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.82
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.67
Polar Surface Area: 80 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 180.0±5.0 cm3

Click to predict properties on the Chemicalize site






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