ChemSpider 2D Image | 2-[(2-Ethoxy-6-pentadecylbenzyl)sulfanyl]-5-nitro-1H-benzimidazole | C31H45N3O3S

2-[(2-Ethoxy-6-pentadecylbenzyl)sulfanyl]-5-nitro-1H-benzimidazole

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID23229949

More details:

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

1H-Benzimidazole, 2-[[(2-ethoxy-6-pentadecylphenyl)methyl]thio]-5-nitro- [ACD/Index Name]
2-[(2-Ethoxy-6-pentadecylbenzyl)sulfanyl]-5-nitro-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(2-Ethoxy-6-pentadecylbenzyl)sulfanyl]-5-nitro-1H-benzimidazole [ACD/IUPAC Name]
2-[(2-Éthoxy-6-pentadécylbenzyl)sulfanyl]-5-nitro-1H-benzimidazole [French] [ACD/IUPAC Name]
2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-nitro-1H-benzoimidazole
CHEMBL158842

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 13.08
ACD/LogD (pH 5.5): 11.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 109 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 478.3±5.0 cm3

Click to predict properties on the Chemicalize site


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