ChemSpider 2D Image | 1-[4-(Methylthio)phenyl]-3-phenyl-2-propen-1-one | C16H14OS

1-[4-(Methylthio)phenyl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC16H14OS
  • Average mass254.347 Da
  • Monoisotopic mass254.076538 Da
  • ChemSpider ID32782238

More details:

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

1-[4-(Methylsulfanyl)phenyl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
1-[4-(Methylsulfanyl)phenyl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
1-[4-(Méthylsulfanyl)phényl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
1-[4-(Methylthio)phenyl]-3-phenyl-2-propen-1-one
17129-07-6 [RN]
2-Propen-1-one, 1-[4-(methylthio)phenyl]-3-phenyl- [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: 419.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 232.7±14.4 °C
Index of Refraction: 1.628
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.47
ACD/KOC (pH 5.5): 4842.62
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.47
ACD/KOC (pH 7.4): 4842.62
Polar Surface Area: 42 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 219.9±5.0 cm3

Click to predict properties on the Chemicalize site


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