ChemSpider 2D Image | 2-{[(3,4-Dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-5-methyl-1H-benzimidazole | C16H17N3O4S

2-{[(3,4-Dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-5-methyl-1H-benzimidazole

  • Molecular FormulaC16H17N3O4S
  • Average mass347.389 Da
  • Monoisotopic mass347.093964 Da
  • ChemSpider ID27445343

More details:

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

1H-Benzimidazole, 2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-5-methyl- [ACD/Index Name]
2-{[(3,4-Dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-5-methyl-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(3,4-Dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-5-methyl-1H-benzimidazole [ACD/IUPAC Name]
2-{[(3,4-Diméthoxy-1-oxydo-2-pyridinyl)méthyl]sulfinyl}-5-méthyl-1H-benzimidazole [French] [ACD/IUPAC Name]
953787-60-5 [RN]
Pantoprazole N-oxide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.2±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.51
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.41
Polar Surface Area: 109 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 241.6±7.0 cm3

Click to predict properties on the Chemicalize site


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