ChemSpider 2D Image | 5-Cyclobutyl-1,2-dihydro-3H-1,2,4-triazole-3-thione | C6H9N3S

5-Cyclobutyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC6H9N3S
  • Average mass155.221 Da
  • Monoisotopic mass155.051712 Da
  • ChemSpider ID23079588

More details:

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

1097794-73-4 [RN]
1H-1,2,4-Triazole-3-thiol, 5-cyclobutyl- [ACD/Index Name]
5-Cyclobutyl-1,2-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-Cyclobutyl-1,2-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-Cyclobutyl-1,2-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-cyclobutyl-1,2-dihydro-1,2,4-triazole-3-thione
5-Cyclobutyl-2H-[1,2,4]triazole-3-thiol
MFCD13248676 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 343.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.7±23.2 °C
    Index of Refraction: 1.663
    Molar Refractivity: 41.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.27
    ACD/LogD (pH 7.4): -1.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 73.9±3.0 dyne/cm
    Molar Volume: 112.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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