ChemSpider 2D Image | 1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenyl-2-propen-1-one | C18H18O2S2

1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenyl-2-propen-1-one

  • Molecular FormulaC18H18O2S2
  • Average mass330.464 Da
  • Monoisotopic mass330.074829 Da
  • ChemSpider ID24737480

More details:

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

1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenyl-2-propen-1-one [ACD/IUPAC Name]
1-(4-Méthoxyphényl)-3,3-bis(méthylsulfanyl)-2-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-methoxyphenyl)-3,3-bis(methylthio)-2-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: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 232.8±16.7 °C
Index of Refraction: 1.619
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3931.44
ACD/KOC (pH 5.5): 13018.89
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3931.44
ACD/KOC (pH 7.4): 13018.89
Polar Surface Area: 77 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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