ChemSpider 2D Image | (1S,2R,5S,6R)-2,6-Diphenyl-9-thiabicyclo[3.3.1]nonane | C20H22S

(1S,2R,5S,6R)-2,6-Diphenyl-9-thiabicyclo[3.3.1]nonane

  • Molecular FormulaC20H22S
  • Average mass294.454 Da
  • Monoisotopic mass294.144226 Da
  • ChemSpider ID30658494

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,5S,6R)-2,6-Diphenyl-9-thiabicyclo[3.3.1]nonan [German] [ACD/IUPAC Name]
(1S,2R,5S,6R)-2,6-Diphenyl-9-thiabicyclo[3.3.1]nonane [ACD/IUPAC Name]
(1S,2R,5S,6R)-2,6-Diphényl-9-thiabicyclo[3.3.1]nonane [French] [ACD/IUPAC Name]
9-Thiabicyclo[3.3.1]nonane, 2,6-diphenyl-, (1S,2R,5S,6R)- [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: 445.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 217.6±25.4 °C
Index of Refraction: 1.601
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24279.04
ACD/KOC (pH 5.5): 47921.88
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24279.04
ACD/KOC (pH 7.4): 47921.88
Polar Surface Area: 25 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 268.5±3.0 cm3

Click to predict properties on the Chemicalize site


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