ChemSpider 2D Image | 4-Amino-5-[(4-chloro-3-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C10H11ClN4OS

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

  • Molecular FormulaC10H11ClN4OS
  • Average mass270.738 Da
  • Monoisotopic mass270.034210 Da
  • ChemSpider ID27421432

More details:

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

3H-1,2,4-Triazole-3-thione, 4-amino-5-[(4-chloro-3-methylphenoxy)methyl]-2,4-dihydro- [ACD/Index Name]
4-Amino-5-[(4-chlor-3-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Amino-5-[(4-chloro-3-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Amino-5-[(4-chloro-3-méthylphénoxy)méthyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
118794-57-3 [RN]
4-amino-3-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
4-Amino-5-(4-chloro-3-methyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
4-amino-5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4H-1,2,4-triazole-3-thiol, 4-amino-5-[(4-chloro-3-methylphenoxy)methyl]-
AE-641/01975034
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 503.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 258.3±32.9 °C
    Index of Refraction: 1.702
    Molar Refractivity: 68.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 3.67
    ACD/KOC (pH 5.5): 54.08
    ACD/LogD (pH 7.4): 0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.22
    Polar Surface Area: 105 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 54.2±7.0 dyne/cm
    Molar Volume: 177.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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