ChemSpider 2D Image | (2E)-1-(5-Ethyl-2-thienyl)-3-(3-thienyl)-2-propen-1-one | C13H12OS2

(2E)-1-(5-Ethyl-2-thienyl)-3-(3-thienyl)-2-propen-1-one

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID31497913
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-1-(5-Ethyl-2-thienyl)-3-(3-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(5-Ethyl-2-thienyl)-3-(3-thienyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(5-Éthyl-2-thiényl)-3-(3-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(5-ethyl-2-thienyl)-3-(3-thienyl)-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 397.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.3±27.9 °C
Index of Refraction: 1.649
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 754.18
ACD/KOC (pH 5.5): 3993.01
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 754.18
ACD/KOC (pH 7.4): 3993.01
Polar Surface Area: 74 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 201.6±3.0 cm3

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