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

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

  • Molecular FormulaC12H17ClN4OS
  • Average mass300.808 Da
  • Monoisotopic mass300.081146 Da
  • ChemSpider ID30030369

More details:

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

3-Chlor-5-{[2-methyl-2-(4-morpholinyl)propyl]amino}-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[2-methyl-2-(4-morpholinyl)propyl]amino}-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-{[2-méthyl-2-(4-morpholinyl)propyl]amino}-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[[2-methyl-2-(4-morpholinyl)propyl]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: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.1±27.9 °C
Index of Refraction: 1.587
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.24
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 13.48
ACD/KOC (pH 7.4): 209.51
Polar Surface Area: 89 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 227.1±5.0 cm3

Click to predict properties on the Chemicalize site


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