ChemSpider 2D Image | 1-[(2R,6R)-6-Isothiocyanatobicyclo[2.2.1]hept-2-yl]ethanone | C10H13NOS

1-[(2R,6R)-6-Isothiocyanatobicyclo[2.2.1]hept-2-yl]ethanone

  • Molecular FormulaC10H13NOS
  • Average mass195.281 Da
  • Monoisotopic mass195.071777 Da
  • ChemSpider ID28644648

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-[(2R,6R)-6-Isothiocyanatobicyclo[2.2.1]hept-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(2R,6R)-6-Isothiocyanatobicyclo[2.2.1]hept-2-yl]ethanone [ACD/IUPAC Name]
1-[(2R,6R)-6-Isothiocyanatobicyclo[2.2.1]hept-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2R,6R)-6-isothiocyanatobicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 323.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.4±22.1 °C
Index of Refraction: 1.669
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.92
ACD/KOC (pH 5.5): 546.94
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.92
ACD/KOC (pH 7.4): 546.94
Polar Surface Area: 62 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 146.3±7.0 cm3

Click to predict properties on the Chemicalize site


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