ChemSpider 2D Image | [5-(2-Thienyl)-1H-pyrazol-4-yl]methanol | C8H8N2OS

[5-(2-Thienyl)-1H-pyrazol-4-yl]methanol

  • Molecular FormulaC8H8N2OS
  • Average mass180.227 Da
  • Monoisotopic mass180.035736 Da
  • ChemSpider ID21800446

More details:

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

[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
[5-(2-Thienyl)-1H-pyrazol-4-yl]methanol [ACD/IUPAC Name]
[5-(2-Thienyl)-1H-pyrazol-4-yl]methanol [German] [ACD/IUPAC Name]
[5-(2-Thiényl)-1H-pyrazol-4-yl]méthanol [French] [ACD/IUPAC Name]
[5-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
194546-14-0 [RN]
1H-Pyrazole-4-methanol, 5-(2-thienyl)- [ACD/Index Name]
(3-(thiophen-2-yl)-1H-pyrazol-4-yl)methanol
(5-(2-thienyl)pyrazol-4-yl)methan-1-ol
(5-(Thiophen-2-yl)-1H-pyrazol-4-yl)methanol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09864606 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 452.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 227.7±27.3 °C
    Index of Refraction: 1.667
    Molar Refractivity: 48.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.61
    ACD/KOC (pH 5.5): 87.14
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.61
    ACD/KOC (pH 7.4): 87.17
    Polar Surface Area: 77 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 67.3±3.0 dyne/cm
    Molar Volume: 129.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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