ChemSpider 2D Image | 2-[({3,5-Dimethyl-4-[(~2~H_3_)methyloxy]-2-pyridinyl}methyl)sulfanyl]-1H-benzimidazol-5-ol | C16H14D3N3O2S

2-[({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfanyl]-1H-benzimidazol-5-ol

  • Molecular FormulaC16H14D3N3O2S
  • Average mass318.409 Da
  • Monoisotopic mass318.122986 Da
  • ChemSpider ID48058357

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazol-5-ol, 2-[[[3,5-dimethyl-4-(methyl-d3-oxy)-2-pyridinyl]methyl]thio]- [ACD/Index Name]
2-[({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfanyl]-1H-benzimidazol-5-ol [German] [ACD/IUPAC Name]
2-[({3,5-Dimethyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfanyl]-1H-benzimidazol-5-ol [ACD/IUPAC Name]
2-[({3,5-Diméthyl-4-[(2H3)méthyloxy]-2-pyridinyl}méthyl)sulfanyl]-1H-benzimidazol-5-ol [French] [ACD/IUPAC Name]
1189968-01-1 [RN]
2-[[3,5-dimethyl-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazol-5-ol
5-o-desmethyl omeprazole-d3 sulfide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 564.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±3.0 kJ/mol
    Flash Point: 295.5±32.9 °C
    Index of Refraction: 1.692
    Molar Refractivity: 88.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 26.11
    ACD/KOC (pH 5.5): 245.76
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 88.38
    ACD/KOC (pH 7.4): 831.71
    Polar Surface Area: 96 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 74.5±5.0 dyne/cm
    Molar Volume: 230.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement