ChemSpider 2D Image | 5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione | C14H17N3OS

5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC14H17N3OS
  • Average mass275.369 Da
  • Monoisotopic mass275.109222 Da
  • ChemSpider ID21330024

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-methyl- [ACD/Index Name]
5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
5-[4-(Cyclopentyloxy)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-[4-(Cyclopentyloxy)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-[4-(Cyclopentyloxy)phényl]-4-méthyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
861433-17-2 [RN]
3-(4-cyclopentyloxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
5-(4-(Cyclopentyloxy)phenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
VS-14404

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

MFCD04968918 [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: 460.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.5±29.3 °C
    Index of Refraction: 1.678
    Molar Refractivity: 78.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 15.10
    ACD/KOC (pH 5.5): 135.61
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.00
    Polar Surface Area: 79 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 47.9±7.0 dyne/cm
    Molar Volume: 207.0±7.0 cm3

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