ChemSpider 2D Image | 2-{[1-(2-Methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-1H-3,1-benzimidazol-3-ium | C18H14N3O3S

2-{[1-(2-Methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-1H-3,1-benzimidazol-3-ium

  • Molecular FormulaC18H14N3O3S
  • Average mass352.387 Da
  • Monoisotopic mass352.075043 Da
  • ChemSpider ID21222763

  • Charge - Charge

More details:

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

1H-3,1-Benzimidazolium, 2-[[2,5-dihydro-1-(2-methoxyphenyl)-2,5-dioxo-1H-pyrrol-3-yl]thio]- [ACD/Index Name]
2-{[1-(2-Methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-1H-3,1-benzimidazol-3-ium [ACD/IUPAC Name]
2-{[1-(2-Methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-1H-3,1-benzimidazol-3-ium [German] [ACD/IUPAC Name]
2-{[1-(2-Méthoxyphényl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]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: 585.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 54.93
ACD/KOC (pH 5.5): 600.80
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.63
ACD/KOC (pH 7.4): 641.34
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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