ChemSpider 2D Image | 6-(1-Cyclohexen-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptane-2-thione | C12H17NS2

6-(1-Cyclohexen-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptane-2-thione

  • Molecular FormulaC12H17NS2
  • Average mass239.400 Da
  • Monoisotopic mass239.080246 Da
  • ChemSpider ID28578181

More details:

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

1-Azabicyclo[3.2.0]heptane-2-thione, 6-(1-cyclohexen-1-yl)-5-mercapto- [ACD/Index Name]
6-(1-Cyclohexen-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptan-2-thion [German] [ACD/IUPAC Name]
6-(1-Cyclohexen-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptane-2-thione [ACD/IUPAC Name]
6-(1-Cyclohexén-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptane-2-thione [French] [ACD/IUPAC Name]
6-(Cyclohex-1-en-1-yl)-5-sulfanyl-1-azabicyclo[3.2.0]heptane-2-thione
651043-99-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.6±30.7 °C
Index of Refraction: 1.655
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.84
ACD/KOC (pH 5.5): 336.81
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.51
ACD/KOC (pH 7.4): 317.98
Polar Surface Area: 74 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 190.9±5.0 cm3

Click to predict properties on the Chemicalize site


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