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Search term: HGRVFQHHOITPSN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Methyl-5-(2-methyl-3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C10H10N4O2S

4-Methyl-5-(2-methyl-3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC10H10N4O2S
  • Average mass250.277 Da
  • Monoisotopic mass250.052444 Da
  • ChemSpider ID21665695

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(2-methyl-3-nitrophenyl)- [ACD/Index Name]
4-Methyl-5-(2-methyl-3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Methyl-5-(2-methyl-3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Méthyl-5-(2-méthyl-3-nitrophényl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
924841-96-3 [RN]
4H-1,2,4-triazole-3-thiol, 4-methyl-5-(2-methyl-3-nitrophenyl)
4-methyl-3-(2-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-thione
4-methyl-5-(2-methyl-3-nitrophenyl)-1,2,4-triazole-3-thiol
MFCD09064694 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 449.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 225.7±31.5 °C
    Index of Refraction: 1.712
    Molar Refractivity: 66.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 4.25
    ACD/KOC (pH 5.5): 54.19
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.67
    Polar Surface Area: 115 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 56.5±7.0 dyne/cm
    Molar Volume: 169.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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