ChemSpider 2D Image | 6-Chloro-2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-1H-3,1-benzimidazol-3-ium | C18H17ClN3OS

6-Chloro-2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-1H-3,1-benzimidazol-3-ium

  • Molecular FormulaC18H17ClN3OS
  • Average mass358.865 Da
  • Monoisotopic mass358.077545 Da
  • ChemSpider ID21214935

  • Charge - Charge

More details:

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

1H-3,1-Benzimidazolium, 6-chloro-2-[[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]thio]- [ACD/Index Name]
6-Chlor-2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-1H-3,1-benzimidazol-3-ium [German] [ACD/IUPAC Name]
6-Chloro-2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-1H-3,1-benzimidazol-3-ium [ACD/IUPAC Name]
6-Chloro-2-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-1H-3,1-benzimidazol-3-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 823.54
ACD/KOC (pH 5.5): 4232.75
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 809.96
ACD/KOC (pH 7.4): 4162.92
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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