ChemSpider 2D Image | 2-Methyl-2-propanyl 1,2-dithiolan-4-ylcarbamate | C8H15NO2S2

2-Methyl-2-propanyl 1,2-dithiolan-4-ylcarbamate

  • Molecular FormulaC8H15NO2S2
  • Average mass221.340 Da
  • Monoisotopic mass221.054413 Da
  • ChemSpider ID28545105

More details:






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

1,2-Dithiolan-4-ylcarbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1,2-dithiolan-4-ylcarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,2-dithiolan-4-ylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-1,2-dithiolan-4-yl-, 1,1-dimethylethyl ester [ACD/Index Name]
1053178-96-3 [RN]
MFCD19982618
tert-butyl N-(1,2-dithiolan-4-yl)carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 335.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 156.5±22.3 °C
Index of Refraction: 1.554
Molar Refractivity: 58.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.82
ACD/KOC (pH 5.5): 486.37
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.82
ACD/KOC (pH 7.4): 486.33
Polar Surface Area: 89 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 182.7±5.0 cm3

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