ChemSpider 2D Image | 4-{(Z)-2-[4-(Methylsulfanyl)phenyl]vinyl}-2-oxo-2H-chromene-3-carbonitrile | C19H13NO2S

4-{(Z)-2-[4-(Methylsulfanyl)phenyl]vinyl}-2-oxo-2H-chromene-3-carbonitrile

  • Molecular FormulaC19H13NO2S
  • Average mass319.377 Da
  • Monoisotopic mass319.066711 Da
  • ChemSpider ID30654613

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-3-carbonitrile, 4-[(Z)-2-[4-(methylthio)phenyl]ethenyl]-2-oxo- [ACD/Index Name]
4-{(Z)-2-[4-(Methylsulfanyl)phenyl]vinyl}-2-oxo-2H-chromen-3-carbonitril [German] [ACD/IUPAC Name]
4-{(Z)-2-[4-(Methylsulfanyl)phenyl]vinyl}-2-oxo-2H-chromene-3-carbonitrile [ACD/IUPAC Name]
4-{(Z)-2-[4-(Méthylsulfanyl)phényl]vinyl}-2-oxo-2H-chromène-3-carbonitrile [French] [ACD/IUPAC 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: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 791.34
ACD/KOC (pH 5.5): 4132.85
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 791.34
ACD/KOC (pH 7.4): 4132.85
Polar Surface Area: 75 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 242.2±5.0 cm3

Click to predict properties on the Chemicalize site


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