ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-isothiocyanato-3-phenyl-2-propanyl]carbamate | C15H20N2O2S

2-Methyl-2-propanyl [(2S)-1-isothiocyanato-3-phenyl-2-propanyl]carbamate

  • Molecular FormulaC15H20N2O2S
  • Average mass292.397 Da
  • Monoisotopic mass292.124542 Da
  • ChemSpider ID30658993

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-Isothiocyanato-3-phényl-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-isothiocyanato-3-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-isothiocyanato-3-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-isothiocyanato-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.4±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 968.73
ACD/KOC (pH 5.5): 4776.66
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 968.70
ACD/KOC (pH 7.4): 4776.50
Polar Surface Area: 83 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 270.3±7.0 cm3

Click to predict properties on the Chemicalize site


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