ChemSpider 2D Image | H-180/29 | C16H17N3O2S

H-180/29

  • Molecular FormulaC16H17N3O2S
  • Average mass315.390 Da
  • Monoisotopic mass315.104156 Da
  • ChemSpider ID22546862

More details:

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

0S4HQG5KFN
110374-16-8 [RN]
1H-Benzimidazole, 2-[[(3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-5-methoxy- [ACD/Index Name]
2-[(3,5-dimethylpyridin-2-yl)methanesulfinyl]-5-methoxy-1H-1,3-benzodiazole
2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-methoxy-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl}-5-methoxy-1H-benzimidazole [ACD/IUPAC Name]
2-{[(3,5-Diméthyl-2-pyridinyl)méthyl]sulfinyl}-5-méthoxy-1H-benzimidazole [French] [ACD/IUPAC Name]
4-Desmethoxy Omeprazole
H-180/29
UNII:0S4HQG5KFN
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 584.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±3.0 kJ/mol
    Flash Point: 307.4±32.9 °C
    Index of Refraction: 1.687
    Molar Refractivity: 87.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.40
    ACD/KOC (pH 5.5): 310.29
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.47
    ACD/KOC (pH 7.4): 311.28
    Polar Surface Area: 87 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 77.7±5.0 dyne/cm
    Molar Volume: 230.0±5.0 cm3

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