ChemSpider 2D Image | 2-Methyl-2-propanyl [4-(1,2,5-dithiazepan-5-yl)-2-methyl-4-oxo-2-butanyl]carbamate | C14H26N2O3S2

2-Methyl-2-propanyl [4-(1,2,5-dithiazepan-5-yl)-2-methyl-4-oxo-2-butanyl]carbamate

  • Molecular FormulaC14H26N2O3S2
  • Average mass334.498 Da
  • Monoisotopic mass334.138489 Da
  • ChemSpider ID64939758

More details:

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

[4-(1,2,5-Dithiazépan-5-yl)-2-méthyl-4-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-(1,2,5-dithiazepan-5-yl)-2-methyl-4-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(1,2,5-dithiazepan-5-yl)-2-methyl-4-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1,1-dimethyl-3-oxo-3-(tetrahydro-5H-1,2,5-dithiazepin-5-yl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2176267-35-7 [RN]
tert-butyl N-[4-(1,2,5-dithiazepan-5-yl)-2-methyl-4-oxobutan-2-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: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.58
ACD/KOC (pH 5.5): 875.93
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.58
ACD/KOC (pH 7.4): 875.92
Polar Surface Area: 109 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


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