ChemSpider 2D Image | [3-(Phenylsulfanyl)-1-(phenylsulfonyl)-1H-indol-2-yl]methyl benzoate | C28H21NO4S2

[3-(Phenylsulfanyl)-1-(phenylsulfonyl)-1H-indol-2-yl]methyl benzoate

  • Molecular FormulaC28H21NO4S2
  • Average mass499.601 Da
  • Monoisotopic mass499.091187 Da
  • ChemSpider ID21126092

More details:

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

[3-(Phenylsulfanyl)-1-(phenylsulfonyl)-1H-indol-2-yl]methyl benzoate [ACD/IUPAC Name]
[3-(Phenylsulfanyl)-1-(phenylsulfonyl)-1H-indol-2-yl]methyl-benzoat [German] [ACD/IUPAC Name]
1H-Indole-2-methanol, 1-(phenylsulfonyl)-3-(phenylthio)-, benzoate (ester) [ACD/Index Name]
Benzoate de [3-(phénylsulfanyl)-1-(phénylsulfonyl)-1H-indol-2-yl]méthyle [French] [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: 682.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.4±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34503.43
ACD/KOC (pH 5.5): 61629.11
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34503.43
ACD/KOC (pH 7.4): 61629.11
Polar Surface Area: 99 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 389.6±7.0 cm3

Click to predict properties on the Chemicalize site


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