ChemSpider 2D Image | (2E)-1-[3-Methoxy-4-(methylsulfonyl)phenyl]-3-(2-thienyl)-2-propen-1-one | C15H14O4S2

(2E)-1-[3-Methoxy-4-(methylsulfonyl)phenyl]-3-(2-thienyl)-2-propen-1-one

  • Molecular FormulaC15H14O4S2
  • Average mass322.399 Da
  • Monoisotopic mass322.033356 Da
  • ChemSpider ID26155244

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[3-Methoxy-4-(methylsulfonyl)phenyl]-3-(2-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[3-Methoxy-4-(methylsulfonyl)phenyl]-3-(2-thienyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[3-Méthoxy-4-(méthylsulfonyl)phényl]-3-(2-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[3-methoxy-4-(methylsulfonyl)phenyl]-3-(2-thienyl)-, (2E)- [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: 563.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.21
ACD/KOC (pH 5.5): 557.71
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.21
ACD/KOC (pH 7.4): 557.71
Polar Surface Area: 97 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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