ChemSpider 2D Image | (2E)-1-[4-(Methylsulfanyl)phenyl]-3-(5-methyl-2-thienyl)-2-propen-1-one | C15H14OS2

(2E)-1-[4-(Methylsulfanyl)phenyl]-3-(5-methyl-2-thienyl)-2-propen-1-one

  • Molecular FormulaC15H14OS2
  • Average mass274.401 Da
  • Monoisotopic mass274.048615 Da
  • ChemSpider ID31285417

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[4-(Methylsulfanyl)phenyl]-3-(5-methyl-2-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[4-(Methylsulfanyl)phenyl]-3-(5-methyl-2-thienyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[4-(Méthylsulfanyl)phényl]-3-(5-méthyl-2-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(5-methyl-2-thienyl)-1-[4-(methylthio)phenyl]-, (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: 436.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1935.57
ACD/KOC (pH 5.5): 7839.62
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1935.57
ACD/KOC (pH 7.4): 7839.62
Polar Surface Area: 71 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 225.9±5.0 cm3

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