ChemSpider 2D Image | (1R,4R,5R)-5-(Phenylsulfinyl)bicyclo[2.2.1]hept-2-ene | C13H14OS

(1R,4R,5R)-5-(Phenylsulfinyl)bicyclo[2.2.1]hept-2-ene

  • Molecular FormulaC13H14OS
  • Average mass218.315 Da
  • Monoisotopic mass218.076538 Da
  • ChemSpider ID35801646

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,4R,5R)-5-(Phenylsulfinyl)bicyclo[2.2.1]hept-2-en [German] [ACD/IUPAC Name]
(1R,4R,5R)-5-(Phenylsulfinyl)bicyclo[2.2.1]hept-2-ene [ACD/IUPAC Name]
(1R,4R,5R)-5-(Phénylsulfinyl)bicyclo[2.2.1]hept-2-ène [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-2-ene, 5-(phenylsulfinyl)-, (1R,4R,5R)- [ACD/Index Name]
(1R,4R,5R)-5-(Benzenesulfinyl)bicyclo[2.2.1]hept-2-ene
(1R,4R,6R)-6-(BENZENESULFINYL)BICYCLO[2.2.1]HEPT-2-ENE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 382.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 185.4±24.8 °C
Index of Refraction: 1.658
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.50
ACD/KOC (pH 5.5): 343.52
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.50
ACD/KOC (pH 7.4): 343.52
Polar Surface Area: 36 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 173.2±5.0 cm3

Click to predict properties on the Chemicalize site


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