ChemSpider 2D Image | pentabromo-2',3-bis(methylthio)bi-indole | C18H11Br5N2S2

pentabromo-2',3-bis(methylthio)bi-indole

  • Molecular FormulaC18H11Br5N2S2
  • Average mass718.943 Da
  • Monoisotopic mass713.627991 Da
  • ChemSpider ID10481011

More details:

Featured data source
Natural Product Updates

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

1,3'-Bi-1H-indole, 2,4,4',6,6'-pentabromo-2',3-bis(methylthio)- [ACD/Index Name]
2,4,4',6,6'-Pentabrom-2',3-bis(methylsulfanyl)-1'H-1,3'-biindol [German] [ACD/IUPAC Name]
2,4,4',6,6'-Pentabromo-2',3-bis(methylsulfanyl)-1'H-1,3'-biindole [ACD/IUPAC Name]
2,4,4',6,6'-Pentabromo-2',3-bis(méthylsulfanyl)-1'H-1,3'-biindole [French] [ACD/IUPAC Name]
pentabromo-2',3-bis(methylthio)bi-indole
2,4,4',6,6'-pentabromo-2',3-bis(methylthio)-1,3'-bi-1H-indole

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

Density: 2.3±0.1 g/cm3
Boiling Point: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.6±32.9 °C
Index of Refraction: 1.810
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1490795.38
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1490793.75
Polar Surface Area: 71 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 313.8±7.0 cm3

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