ChemSpider 2D Image | (3S)-3-(Methylsulfanyl)quinuclidine | C8H15NS

(3S)-3-(Methylsulfanyl)quinuclidine

  • Molecular FormulaC8H15NS
  • Average mass157.276 Da
  • Monoisotopic mass157.092514 Da
  • ChemSpider ID26325836

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Methylsulfanyl)chinuclidin [German] [ACD/IUPAC Name]
(3S)-3-(Methylsulfanyl)quinuclidine [ACD/IUPAC Name]
(3S)-3-(Méthylsulfanyl)quinuclidine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octane, 3-(methylthio)-, (3S)- [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: 229.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 92.5±22.6 °C
Index of Refraction: 1.558
Molar Refractivity: 46.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 29 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 145.3±5.0 cm3

Click to predict properties on the Chemicalize site


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