ChemSpider 2D Image | (1S,4R)-3,3-Dimethylbicyclo[2.2.1]heptane-2-thione | C9H14S

(1S,4R)-3,3-Dimethylbicyclo[2.2.1]heptane-2-thione

  • Molecular FormulaC9H14S
  • Average mass154.273 Da
  • Monoisotopic mass154.081619 Da
  • ChemSpider ID61654350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-3,3-Dimethylbicyclo[2.2.1]heptan-2-thion [German] [ACD/IUPAC Name]
(1S,4R)-3,3-Dimethylbicyclo[2.2.1]heptane-2-thione [ACD/IUPAC Name]
(1S,4R)-3,3-Diméthylbicyclo[2.2.1]heptane-2-thione [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2-thione, 3,3-dimethyl-, (1S,4R)- [ACD/Index Name]
1932305-80-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 206.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 78.6±22.6 °C
Index of Refraction: 1.549
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.86
ACD/KOC (pH 5.5): 495.47
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.86
ACD/KOC (pH 7.4): 495.47
Polar Surface Area: 32 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 146.8±5.0 cm3

Click to predict properties on the Chemicalize site


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