ChemSpider 2D Image | MFCD08282929 | C13H11N3OS

MFCD08282929

  • Molecular FormulaC13H11N3OS
  • Average mass257.311 Da
  • Monoisotopic mass257.062286 Da
  • ChemSpider ID21475625

More details:

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

3-(3-hydroxynaphthalen-2-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
3-(5-Mercapto-4-methyl-4H-1,2,4-triazol-3-yl)naphthalen-2-ol
312523-49-2 [RN]
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(3-hydroxy-2-naphthalenyl)-4-methyl- [ACD/Index Name]
5-(3-Hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-(3-Hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(3-Hydroxy-2-naphtyl)-4-méthyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
MFCD08282929
3-(3-Hydroxynaphthalen-2-yl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione
3-(3-HYDROXYNAPHTHALEN-2-YL)-4-METHYL-1H-1,2,4-TRIAZOLE-5-THIONE
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 509.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±3.0 kJ/mol
    Flash Point: 261.6±30.7 °C
    Index of Refraction: 1.735
    Molar Refractivity: 72.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 13.41
    ACD/KOC (pH 5.5): 129.74
    ACD/LogD (pH 7.4): 0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.43
    Polar Surface Area: 90 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 181.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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