ChemSpider 2D Image | 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(~2~H_3_)methyloxy]-2H-benzimidazole | C16H14D3N3O2S

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(2H3)methyloxy]-2H-benzimidazole

  • Molecular FormulaC16H14D3N3O2S
  • Average mass318.409 Da
  • Monoisotopic mass318.122986 Da
  • ChemSpider ID111290421

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(2H3)methyloxy]-2H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-[(2H3)methyloxy]-2H-benzimidazole [ACD/IUPAC Name]
2-{[(3,5-Diméthyl-2-pyridinyl)méthyl]sulfinyl}-5-[(2H3)méthyloxy]-2H-benzimidazole [French] [ACD/IUPAC Name]
2H-Benzimidazole, 2-[[(3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-5-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 307.9±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 87.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 80.67
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 82.04
Polar Surface Area: 83 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 231.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement