ChemSpider 2D Image | 6-(3,6-Dihydro-2H-thiopyran-4-yl)-1H-indazole | C12H12N2S

6-(3,6-Dihydro-2H-thiopyran-4-yl)-1H-indazole

  • Molecular FormulaC12H12N2S
  • Average mass216.302 Da
  • Monoisotopic mass216.072113 Da
  • ChemSpider ID28578269

More details:

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

1H-Indazole, 6-(3,6-dihydro-2H-thiopyran-4-yl)- [ACD/Index Name]
6-(3,6-Dihydro-2H-thiopyran-4-yl)-1H-indazol [German] [ACD/IUPAC Name]
6-(3,6-Dihydro-2H-thiopyran-4-yl)-1H-indazole [ACD/IUPAC Name]
6-(3,6-Dihydro-2H-thiopyrane-4-yl)-1H-indazole [French] [ACD/IUPAC Name]
885272-24-2 [RN]
[885272-24-2] [RN]
1H-INDAZOLE,6-(3,6-DIHYDRO-2H-THIOPYRAN-4-YL)-
6-(3,6-dihydro-2H-thiopyran-4-yl)-2H-indazole
MFCD04114670

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 218.5±28.7 °C
    Index of Refraction: 1.715
    Molar Refractivity: 65.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 3.27
    ACD/BCF (pH 5.5): 181.34
    ACD/KOC (pH 5.5): 1439.49
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 181.38
    ACD/KOC (pH 7.4): 1439.81
    Polar Surface Area: 54 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 167.1±3.0 cm3

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