ChemSpider 2D Image | 1-(benzenesulfonyl)-2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanyl-indole | C29H25NO2S2

1-(benzenesulfonyl)-2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanyl-indole

  • Molecular FormulaC29H25NO2S2
  • Average mass483.644 Da
  • Monoisotopic mass483.132660 Da
  • ChemSpider ID21129322

More details:

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

2-(2,5-Dimethylbenzyl)-3-(phenylsulfanyl)-1-(phenylsulfonyl)-1H-indol [German] [ACD/IUPAC Name]
2-(2,5-Diméthylbenzyl)-3-(phénylsulfanyl)-1-(phénylsulfonyl)-1H-indole [French] [ACD/IUPAC 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: 657.5±57.0 °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: 351.5±32.1 °C
Index of Refraction: 1.642
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 348806.00
ACD/KOC (pH 5.5): 322815.97
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 348806.00
ACD/KOC (pH 7.4): 322815.97
Polar Surface Area: 73 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 400.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement