ChemSpider 2D Image | (2Z)-N-Allyl-4-(1-benzofuran-2-yl)-3-[(E)-(2-iodobenzylidene)amino]-1,3-thiazol-2(3H)-imine | C21H16IN3OS

(2Z)-N-Allyl-4-(1-benzofuran-2-yl)-3-[(E)-(2-iodobenzylidene)amino]-1,3-thiazol-2(3H)-imine

  • Molecular FormulaC21H16IN3OS
  • Average mass485.341 Da
  • Monoisotopic mass485.005859 Da
  • ChemSpider ID62285381

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-Allyl-4-(1-benzofuran-2-yl)-3-[(E)-(2-iodbenzyliden)amino]-1,3-thiazol-2(3H)-imin [German] [ACD/IUPAC Name]
(2Z)-N-Allyl-4-(1-benzofuran-2-yl)-3-[(E)-(2-iodobenzylidene)amino]-1,3-thiazol-2(3H)-imine [ACD/IUPAC Name]
(2Z)-N-Allyl-4-(1-benzofuran-2-yl)-3-[(E)-(2-iodobenzylidène)amino]-1,3-thiazol-2(3H)-imine [French] [ACD/IUPAC Name]
3(2H)-Thiazolamine, 4-(2-benzofuranyl)-N-[(1E)-(2-iodophenyl)methylene]-2-(2-propen-1-ylimino)-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 565.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.7±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20794.72
ACD/KOC (pH 5.5): 42892.04
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20794.81
ACD/KOC (pH 7.4): 42892.23
Polar Surface Area: 66 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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