ChemSpider 2D Image | [1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanol | C8H13N3O3S

[1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanol

  • Molecular FormulaC8H13N3O3S
  • Average mass231.272 Da
  • Monoisotopic mass231.067764 Da
  • ChemSpider ID53617182

More details:

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

[1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanol [German] [ACD/IUPAC Name]
[1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl]methanol [ACD/IUPAC Name]
[1-(1,1-Dioxydotétrahydro-2H-thiopyrane-4-yl)-1H-1,2,3-triazol-4-yl]méthanol [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanol, 1-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)- [ACD/Index Name]
2025885-26-9 [RN]
4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
MFCD30004071

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 558.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 291.4±32.9 °C
    Index of Refraction: 1.700
    Molar Refractivity: 55.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.34
    ACD/LogD (pH 5.5): -1.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.61
    ACD/LogD (pH 7.4): -1.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.61
    Polar Surface Area: 93 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 71.9±7.0 dyne/cm
    Molar Volume: 142.2±7.0 cm3

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