ChemSpider 2D Image | (2E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)-2-propen-1-one | C13H11NOS

(2E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)-2-propen-1-one

  • Molecular FormulaC13H11NOS
  • Average mass229.298 Da
  • Monoisotopic mass229.056137 Da
  • ChemSpider ID30657747

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Méthylphényl)-1-(1,3-thiazol-2-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-methylphenyl)-1-(2-thiazolyl)-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.7±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.39
ACD/KOC (pH 5.5): 969.53
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.39
ACD/KOC (pH 7.4): 969.53
Polar Surface Area: 58 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 188.8±3.0 cm3

Click to predict properties on the Chemicalize site


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