ChemSpider 2D Image | (2Z)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one | C16H13ClOS

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

  • Molecular FormulaC16H13ClOS
  • Average mass288.792 Da
  • Monoisotopic mass288.037567 Da
  • ChemSpider ID30655092

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2Z)-1-(4-Chlorophényl)-3-[4-(méthylsulfanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2Z)-1-(4-Chlorphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-chlorophenyl)-3-[4-(methylthio)phenyl]-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 452.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1014.23
ACD/KOC (pH 5.5): 4936.20
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1014.23
ACD/KOC (pH 7.4): 4936.20
Polar Surface Area: 42 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 230.9±5.0 cm3

Click to predict properties on the Chemicalize site


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