ChemSpider 2D Image | 3-(3-Isopropyl-1,2,4-thiadiazol-5-yl)quinuclidine | C12H19N3S

3-(3-Isopropyl-1,2,4-thiadiazol-5-yl)quinuclidine

  • Molecular FormulaC12H19N3S
  • Average mass237.364 Da
  • Monoisotopic mass237.129974 Da
  • ChemSpider ID14253368

More details:

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

1-Azabicyclo[2.2.2]octane, 3-[3-(1-methylethyl)-1,2,4-thiadiazol-5-yl]- [ACD/Index Name]
3-(3-Isopropyl-1,2,4-thiadiazol-5-yl)chinuclidin [German] [ACD/IUPAC Name]
3-(3-Isopropyl-1,2,4-thiadiazol-5-yl)quinuclidine [ACD/IUPAC Name]
3-(3-Isopropyl-1,2,4-thiadiazol-5-yl)quinuclidine [French] [ACD/IUPAC Name]
3-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]-1-azabicyclo[2.2.2]octane
122683-18-5 [RN]
3-(3-Isopropyl-[1,2,4]thiadiazol-5-yl)-1-aza-bicyclo[2.2.2]octane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 362.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 172.8±28.4 °C
Index of Refraction: 1.578
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 16.00
Polar Surface Area: 57 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

Click to predict properties on the Chemicalize site


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