ChemSpider 2D Image | 1-[1-(Tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanamine | C8H14N4S

1-[1-(Tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanamine

  • Molecular FormulaC8H14N4S
  • Average mass198.289 Da
  • Monoisotopic mass198.093918 Da
  • ChemSpider ID53616754

More details:






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

1-[1-(Tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanamin [German] [ACD/IUPAC Name]
1-[1-(Tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanamine [ACD/IUPAC Name]
1-[1-(Tétrahydro-2H-thiopyrane-4-yl)-1H-1,2,3-triazol-4-yl]méthanamine [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanamine, 1-(tetrahydro-2H-thiopyran-4-yl)- [ACD/Index Name]
(1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
2031260-45-2 [RN]
MFCD30003663

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 400.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.2±3.0 kJ/mol
    Flash Point: 196.1±31.5 °C
    Index of Refraction: 1.728
    Molar Refractivity: 54.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.43
    ACD/LogD (pH 5.5): -1.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.24
    Polar Surface Area: 82 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 63.9±7.0 dyne/cm
    Molar Volume: 135.8±7.0 cm3

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