ChemSpider 2D Image | 5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | C16H19N3OS

5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC16H19N3OS
  • Average mass301.407 Da
  • Monoisotopic mass301.124878 Da
  • ChemSpider ID21330026

More details:

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

3H-1,2,4-Triazole-3-thione, 5-[4-(cyclopentyloxy)phenyl]-2,4-dihydro-4-(2-propen-1-yl)- [ACD/Index Name]
4-Allyl-5-[4-(cyclopentyloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Allyl-5-[4-(cyclopentyloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Allyl-5-[4-(cyclopentyloxy)phényl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
861238-33-7 [RN]
3-(4-cyclopentyloxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
4-Allyl-5-(4-(cyclopentyloxy)phenyl)-4H-1,2,4-triazole-3-thiol
VS-14406

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

MFCD04968920 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 479.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 243.8±31.5 °C
    Index of Refraction: 1.650
    Molar Refractivity: 87.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 47.68
    ACD/KOC (pH 5.5): 312.30
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 2.29
    ACD/KOC (pH 7.4): 14.97
    Polar Surface Area: 79 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 45.7±7.0 dyne/cm
    Molar Volume: 239.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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