ChemSpider 2D Image | 1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(3-methylbutyl)-1H-pyrazol-5-ol | C12H20N2O3S

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(3-methylbutyl)-1H-pyrazol-5-ol

  • Molecular FormulaC12H20N2O3S
  • Average mass272.364 Da
  • Monoisotopic mass272.119476 Da
  • ChemSpider ID27320427

More details:

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

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(3-methylbutyl)-1H-pyrazol-5-ol [German] [ACD/IUPAC Name]
1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(3-methylbutyl)-1H-pyrazol-5-ol [ACD/IUPAC Name]
1-(1,1-Dioxydotétrahydro-3-thiophényl)-3-(3-méthylbutyl)-1H-pyrazol-5-ol [French] [ACD/IUPAC Name]
1H-Pyrazol-5-ol, 3-(3-methylbutyl)-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(3-methylbutyl)-1H-pyrazol-5-ol
1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methylbutyl)-1H-pyrazol-5-ol
1246052-90-3 [RN]
2-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-5-(3-methyl-butyl)-2H-pyrazol-3-ol
3-(5-hydroxy-3-isopentyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 517.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 266.7±30.1 °C
    Index of Refraction: 1.617
    Molar Refractivity: 70.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 7.11
    ACD/KOC (pH 5.5): 141.57
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.59
    ACD/KOC (pH 7.4): 131.15
    Polar Surface Area: 81 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 200.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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