ChemSpider 2D Image | 4,4',6,6'-Tetrabromo-2,2'-bis(methylsulfinyl)-1H,1'H-3,3'-biindole | C18H12Br4N2O2S2

4,4',6,6'-Tetrabromo-2,2'-bis(methylsulfinyl)-1H,1'H-3,3'-biindole

  • Molecular FormulaC18H12Br4N2O2S2
  • Average mass672.046 Da
  • Monoisotopic mass667.707336 Da
  • ChemSpider ID9402729

More details:

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

3,3'-Bi-1H-indole, 4,4',6,6'-tetrabromo-2,2'-bis(methylsulfinyl)- [ACD/Index Name]
4,4',6,6'-Tetrabrom-2,2'-bis(methylsulfinyl)-1H,1'H-3,3'-biindol [German] [ACD/IUPAC Name]
4,4',6,6'-Tetrabromo-2,2'-bis(methylsulfinyl)-1H,1'H-3,3'-biindole [ACD/IUPAC Name]
4,4',6,6'-Tétrabromo-2,2'-bis(méthylsulfinyl)-1H,1'H-3,3'-biindole [French] [ACD/IUPAC Name]
bis(4,6-dibromo-2-methylsulfinyl)indole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517477/

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

Density: 2.4±0.1 g/cm3
Boiling Point: 895.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 495.3±34.3 °C
Index of Refraction: 1.919
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 876.18
ACD/KOC (pH 5.5): 4445.39
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 875.83
ACD/KOC (pH 7.4): 4443.56
Polar Surface Area: 104 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 124.8±5.0 dyne/cm
Molar Volume: 280.3±5.0 cm3

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