ChemSpider 2D Image | Ethyl 4-(2-methyl-2-propanyl)benzyl 3-pyridinylcarbonodithioimidate | C19H24N2S2

Ethyl 4-(2-methyl-2-propanyl)benzyl 3-pyridinylcarbonodithioimidate

  • Molecular FormulaC19H24N2S2
  • Average mass344.537 Da
  • Monoisotopic mass344.138092 Da
  • ChemSpider ID21247333

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinylcarbonodithioimidate d'éthyle et de 4-(2-méthyl-2-propanyl)benzyle [French] [ACD/IUPAC Name]
Carbonodithioimidic acid, N-3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ethyl ester [ACD/Index Name]
Ethyl 4-(2-methyl-2-propanyl)benzyl 3-pyridinylcarbonodithioimidate [ACD/IUPAC Name]
Ethyl-4-(2-methyl-2-propanyl)benzyl-3-pyridinylcarbonodithioimidat [German] [ACD/IUPAC Name]
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL ETHYL PYRIDIN-3-YLCARBONIMIDODITHIOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 243.3±29.3 °C
Index of Refraction: 1.576
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33417.90
ACD/KOC (pH 5.5): 59119.39
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35659.17
ACD/KOC (pH 7.4): 63084.40
Polar Surface Area: 76 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 321.7±7.0 cm3

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