ChemSpider 2D Image | 3-[2-(Phenylsulfanyl)ethyl]-3-azaspiro[5.5]undecane | C18H27NS

3-[2-(Phenylsulfanyl)ethyl]-3-azaspiro[5.5]undecane

  • Molecular FormulaC18H27NS
  • Average mass289.479 Da
  • Monoisotopic mass289.186432 Da
  • ChemSpider ID52086939

More details:

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

3-[2-(Phenylsulfanyl)ethyl]-3-azaspiro[5.5]undecan [German] [ACD/IUPAC Name]
3-[2-(Phenylsulfanyl)ethyl]-3-azaspiro[5.5]undecane [ACD/IUPAC Name]
3-[2-(Phénylsulfanyl)éthyl]-3-azaspiro[5.5]undécane [French] [ACD/IUPAC Name]
3-Azaspiro[5.5]undecane, 3-[2-(phenylthio)ethyl]- [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: 416.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.9±24.0 °C
Index of Refraction: 1.582
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 20.95
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 104.72
ACD/KOC (pH 7.4): 280.76
Polar Surface Area: 29 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 270.1±5.0 cm3

Click to predict properties on the Chemicalize site


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