Found 124 results

Search term: MF = 'C_{21}H_{18}O_{4}S'
ChemSpider 2D Image | 8-Ethoxy-3-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}-2H-chromen-2-one | C21H18O4S

8-Ethoxy-3-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}-2H-chromen-2-one

  • Molecular FormulaC21H18O4S
  • Average mass366.430 Da
  • Monoisotopic mass366.092590 Da
  • ChemSpider ID23015777

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 8-ethoxy-3-[(2E)-3-[4-(methylthio)phenyl]-1-oxo-2-propen-1-yl]- [ACD/Index Name]
8-Ethoxy-3-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-Ethoxy-3-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}-2H-chromen-2-one [ACD/IUPAC Name]
8-Éthoxy-3-{(2E)-3-[4-(méthylsulfanyl)phényl]-2-propenoyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]
8-ethoxy-3-{(2E)-3-[4-(methylthio)phenyl]prop-2-enoyl}-2H-chromen-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 313.7±18.1 °C
Index of Refraction: 1.642
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1254.25
ACD/KOC (pH 5.5): 5746.75
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1254.25
ACD/KOC (pH 7.4): 5746.75
Polar Surface Area: 78 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


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