ChemSpider 2D Image | (2E)-2-[4-(2-Naphthyl)-1,3-thiazol-2-yl]-3-(2-pyridinyl)acrylonitrile | C21H13N3S

(2E)-2-[4-(2-Naphthyl)-1,3-thiazol-2-yl]-3-(2-pyridinyl)acrylonitrile

  • Molecular FormulaC21H13N3S
  • Average mass339.413 Da
  • Monoisotopic mass339.083008 Da
  • ChemSpider ID125216067

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(2-Naphthyl)-1,3-thiazol-2-yl]-3-(2-pyridinyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-2-[4-(2-Naphthyl)-1,3-thiazol-2-yl]-3-(2-pyridinyl)acrylonitrile [ACD/IUPAC Name]
(2E)-2-[4-(2-Naphtyl)-1,3-thiazol-2-yl]-3-(2-pyridinyl)acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, 4-(2-naphthalenyl)-α-(2-pyridinylmethylene)-, (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: 570.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.6±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: 5.32
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3959.83
ACD/KOC (pH 5.5): 13065.30
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3981.80
ACD/KOC (pH 7.4): 13137.79
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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