ChemSpider 2D Image | 8-Oxa-3-azabicyclo[3.2.1]octane-2-thione | C6H9NOS

8-Oxa-3-azabicyclo[3.2.1]octane-2-thione

  • Molecular FormulaC6H9NOS
  • Average mass143.207 Da
  • Monoisotopic mass143.040482 Da
  • ChemSpider ID25991629

More details:

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

1291487-34-7 [RN]
8-Oxa-3-azabicyclo[3.2.1]octan-2-thion [German] [ACD/IUPAC Name]
8-Oxa-3-azabicyclo[3.2.1]octane-2-thione [ACD/Index Name] [ACD/IUPAC Name]
8-Oxa-3-azabicyclo[3.2.1]octane-2-thione [French] [ACD/IUPAC Name]
8-Oxa-3-azabicyclo[3.2.1]octan-4-thione
8-Oxa-3-azabicyclo[3.2.1]octane-4-thione
MFCD18839244 [MDL number]
MFCD22371800

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 237.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 97.1±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.33
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.34
Polar Surface Area: 53 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 111.0±5.0 cm3

Click to predict properties on the Chemicalize site


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