ChemSpider 2D Image | 4-Amino-5-[(1-naphthyloxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C13H12N4OS

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

  • Molecular FormulaC13H12N4OS
  • Average mass272.326 Da
  • Monoisotopic mass272.073181 Da
  • ChemSpider ID23074533

More details:

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

137266-17-2 [RN]
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-[(1-naphthalenyloxy)methyl]- [ACD/Index Name]
4-Amino-2,4-dihydro-5-[(1-naphthalenyloxy)methyl]-3H-1,2,4-triazole-3-thione
4-Amino-5-[(1-naphthyloxy)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Amino-5-[(1-naphthyloxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Amino-5-[(1-naphtyloxy)méthyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-amino-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione
4-amino-5-[(naphthalen-1-yloxy)methyl]-4H-1,2,4-triazole-3-thiol
4H-1,2,4-triazole-3-thiol, 4-amino-5-[(1-naphthalenyloxy)methyl]
MFCD13370781 [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: 551.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 287.5±30.7 °C
    Index of Refraction: 1.733
    Molar Refractivity: 75.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 4.67
    ACD/KOC (pH 5.5): 64.14
    ACD/LogD (pH 7.4): 0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.05
    Polar Surface Area: 105 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 58.1±7.0 dyne/cm
    Molar Volume: 188.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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