ChemSpider 2D Image | 3-Chloro-5-{[4-(4-morpholinyl)butyl]amino}-1,2-thiazole-4-carbonitrile | C12H17ClN4OS

3-Chloro-5-{[4-(4-morpholinyl)butyl]amino}-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC12H17ClN4OS
  • Average mass300.808 Da
  • Monoisotopic mass300.081146 Da
  • ChemSpider ID30728210

More details:

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

3-Chlor-5-{[4-(4-morpholinyl)butyl]amino}-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[4-(4-morpholinyl)butyl]amino}-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-{[4-(4-morpholinyl)butyl]amino}-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[[4-(4-morpholinyl)butyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 411.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.7±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 100.55
Polar Surface Area: 89 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 226.7±5.0 cm3

Click to predict properties on the Chemicalize site


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