ChemSpider 2D Image | Diethyl {4-(diethylamino)-2-[(dimethylcarbamothioyl)oxy]benzylidene}malonate | C21H30N2O5S

Diethyl {4-(diethylamino)-2-[(dimethylcarbamothioyl)oxy]benzylidene}malonate

  • Molecular FormulaC21H30N2O5S
  • Average mass422.538 Da
  • Monoisotopic mass422.187531 Da
  • ChemSpider ID30656783

More details:

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

{4-(Diéthylamino)-2-[(diméthylcarbamothioyl)oxy]benzylidène}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {4-(diethylamino)-2-[(dimethylcarbamothioyl)oxy]benzylidene}malonate [ACD/IUPAC Name]
Diethyl-{4-(diethylamino)-2-[(dimethylcarbamothioyl)oxy]benzyliden}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[4-(diethylamino)-2-[(dimethylamino)thioxomethoxy]phenyl]methylene]-, diethyl ester [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: 511.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.89
ACD/KOC (pH 5.5): 2930.32
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 512.19
ACD/KOC (pH 7.4): 3026.63
Polar Surface Area: 100 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

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