ChemSpider 2D Image | 2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-5-ol | C16H14F3N3O2S

2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-5-ol

  • Molecular FormulaC16H14F3N3O2S
  • Average mass369.362 Da
  • Monoisotopic mass369.075867 Da
  • ChemSpider ID29790173

More details:

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

1H-Benzimidazol-6-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]- [ACD/Index Name]
2-({[3-Methyl-4-(2,2,2-trifluorethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-5-ol [German] [ACD/IUPAC Name]
2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-5-ol [ACD/IUPAC Name]
2-({[3-Méthyl-4-(2,2,2-trifluoroéthoxy)-2-pyridinyl]méthyl}sulfanyl)-1H-benzimidazol-5-ol [French] [ACD/IUPAC Name]
131926-96-0 [RN]
2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfanyl)-1H-benzimidazol-6-ol
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazol-6-ol
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazol-5-ol
5-Hydroxy lansoprazole sulfide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 547.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.8±3.0 kJ/mol
    Flash Point: 284.9±32.9 °C
    Index of Refraction: 1.639
    Molar Refractivity: 88.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 226.84
    ACD/KOC (pH 5.5): 1543.87
    ACD/LogD (pH 7.4): 3.57
    ACD/BCF (pH 7.4): 299.50
    ACD/KOC (pH 7.4): 2038.37
    Polar Surface Area: 96 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 66.2±5.0 dyne/cm
    Molar Volume: 246.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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