ChemSpider 2D Image | (2E)-3-(2-Phenyl-1,3-thiazol-4-yl)-2-(2-quinolinyl)acrylonitrile | C21H13N3S

(2E)-3-(2-Phenyl-1,3-thiazol-4-yl)-2-(2-quinolinyl)acrylonitrile

  • Molecular FormulaC21H13N3S
  • Average mass339.413 Da
  • Monoisotopic mass339.083008 Da
  • ChemSpider ID110807224

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Chinolinyl)-3-(2-phenyl-1,3-thiazol-4-yl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(2-Phényl-1,3-thiazol-4-yl)-2-(2-quinoléinyl)acrylonitrile [French] [ACD/IUPAC Name]
(2E)-3-(2-Phenyl-1,3-thiazol-4-yl)-2-(2-quinolinyl)acrylonitrile [ACD/IUPAC Name]
2-Quinolineacetonitrile, α-[(2-phenyl-4-thiazolyl)methylene]-, (αE)- [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: 552.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3454.88
ACD/KOC (pH 5.5): 11868.22
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3455.40
ACD/KOC (pH 7.4): 11869.99
Polar Surface Area: 78 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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