ChemSpider 2D Image | Ethyl 2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1H-indole-3-carboxylate | C24H21NO4S2

Ethyl 2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1H-indole-3-carboxylate

  • Molecular FormulaC24H21NO4S2
  • Average mass451.558 Da
  • Monoisotopic mass451.091187 Da
  • ChemSpider ID21119223

More details:

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

1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-2-[(phenylthio)methyl]-, ethyl ester [ACD/Index Name]
2-[(Phénylsulfanyl)méthyl]-1-(phénylsulfonyl)-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(phenylsulfanyl)methyl]-1-(phenylsulfonyl)-1H-indol-3-carboxylat [German] [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: 657.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8606.90
ACD/KOC (pH 5.5): 22811.47
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8606.90
ACD/KOC (pH 7.4): 22811.47
Polar Surface Area: 99 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 353.1±7.0 cm3

Click to predict properties on the Chemicalize site


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