ChemSpider 2D Image | 2-{[(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl]sulfanyl}propanamide | C13H23NOS

2-{[(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl]sulfanyl}propanamide

  • Molecular FormulaC13H23NOS
  • Average mass241.393 Da
  • Monoisotopic mass241.150040 Da
  • ChemSpider ID24808336

More details:

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

2-{[(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
2-{[(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl]sulfanyl}propanamide [ACD/IUPAC Name]
2-{[(6,6-Diméthylbicyclo[3.1.1]hept-2-yl)méthyl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]thio]- [ACD/Index Name]
Kinome_3624

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 177.9±23.2 °C
Index of Refraction: 1.520
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.90
ACD/KOC (pH 5.5): 1538.08
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.90
ACD/KOC (pH 7.4): 1538.08
Polar Surface Area: 68 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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