ChemSpider 2D Image | 1-(2-Chlorophenyl)-3-{2-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]ethyl}thiourea | C21H20ClN5S

1-(2-Chlorophenyl)-3-{2-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]ethyl}thiourea

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID22508344

More details:

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

1-(2-Chlorophényl)-3-{2-[(3-cyano-7,8-diméthyl-2-quinoléinyl)amino]éthyl}thiourée [French] [ACD/IUPAC Name]
1-(2-Chlorophenyl)-3-{2-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]ethyl}thiourea [ACD/IUPAC Name]
1-(2-Chlorphenyl)-3-{2-[(3-cyan-7,8-dimethyl-2-chinolinyl)amino]ethyl}thioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-(2-chlorophenyl)-N'-[2-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]ethyl]- [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: 625.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1524.49
ACD/KOC (pH 5.5): 6607.45
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1524.80
ACD/KOC (pH 7.4): 6608.81
Polar Surface Area: 105 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

Click to predict properties on the Chemicalize site


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