ChemSpider 2D Image | (1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane | C9H11NS

(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane

  • Molecular FormulaC9H11NS
  • Average mass165.255 Da
  • Monoisotopic mass165.061218 Da
  • ChemSpider ID23329615

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1R,5R)-1-(2-Thiényl)-3-azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane, 1-(2-thienyl)-, (1R,5R)- [ACD/Index Name]
(1R,5R)-1-(thiophen-2-yl)-3-azabicyclo[3.1.0]hexane
(1R,5R)-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CHEMBL449514
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449514/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 264.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.7±20.4 °C
Index of Refraction: 1.634
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 40 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 131.9±3.0 cm3

Click to predict properties on the Chemicalize site


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