ChemSpider 2D Image | (2Z)-2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one | C17H15BrOS

(2Z)-2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC17H15BrOS
  • Average mass347.269 Da
  • Monoisotopic mass346.002686 Da
  • ChemSpider ID21179537

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Brom-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2Z)-2-Bromo-1-(4-méthylphényl)-3-[4-(méthylsulfanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 2-bromo-1-(4-methylphenyl)-3-[4-(methylthio)phenyl]-, (2Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 474.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.0±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3071.83
ACD/KOC (pH 5.5): 10911.23
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3071.83
ACD/KOC (pH 7.4): 10911.23
Polar Surface Area: 42 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 248.9±5.0 cm3

Click to predict properties on the Chemicalize site


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