ChemSpider 2D Image | Ethyl 3-ethyl-5-iodo-1-{(1-methylcyclopropyl)[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxylate | C20H25IN2O2S

Ethyl 3-ethyl-5-iodo-1-{(1-methylcyclopropyl)[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC20H25IN2O2S
  • Average mass484.394 Da
  • Monoisotopic mass484.068146 Da
  • ChemSpider ID122513501

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-ethyl-5-iodo-1-[(1-methylcyclopropyl)[4-(methylthio)phenyl]methyl]-, ethyl ester [ACD/Index Name]
3-Éthyl-5-iodo-1-{(1-méthylcyclopropyl)[4-(méthylsulfanyl)phényl]méthyl}-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-ethyl-5-iodo-1-{(1-methylcyclopropyl)[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-ethyl-5-iod-1-{(1-methylcyclopropyl)[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.6±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: 289.2±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17961.89
ACD/KOC (pH 5.5): 38623.54
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17961.89
ACD/KOC (pH 7.4): 38623.54
Polar Surface Area: 69 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 322.2±7.0 cm3

Click to predict properties on the Chemicalize site


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