ChemSpider 2D Image | 2-Methyl-2-propanyl 3-sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate | C12H21NO2S

2-Methyl-2-propanyl 3-sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID35142618

More details:

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

2-Methyl-2-propanyl 3-sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-sulfanyl-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
3-Sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester [ACD/Index Name]
1936385-35-1 [RN]
exo-3-Mercapto-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
MFCD28656706
tert-butyl 3-mercapto-8-azabicyclo[3.2.1]octane-8-carboxylate
tert-butyl 3-sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 152.9±25.9 °C
Index of Refraction: 1.534
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.96
ACD/KOC (pH 5.5): 1070.98
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.85
ACD/KOC (pH 7.4): 1070.03
Polar Surface Area: 68 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

Click to predict properties on the Chemicalize site


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