ChemSpider 2D Image | 5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | C14H17N3OS

5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC14H17N3OS
  • Average mass275.369 Da
  • Monoisotopic mass275.109222 Da
  • ChemSpider ID21330031

More details:

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

3H-1,2,4-Triazole-3-thione, 5-[(2,4-dimethylphenoxy)methyl]-2,4-dihydro-4-(2-propen-1-yl)- [ACD/Index Name]
4-Allyl-5-[(2,4-dimethylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Allyl-5-[(2,4-dimethylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Allyl-5-[(2,4-diméthylphénoxy)méthyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
861433-16-1 [RN]
3-[(2,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
4-Allyl-5-((2,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol
VS-14411

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

MFCD04968930 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 452.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.6±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 80.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.94
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 15.38
    ACD/KOC (pH 5.5): 129.76
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.57
    Polar Surface Area: 79 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 39.0±7.0 dyne/cm
    Molar Volume: 233.8±7.0 cm3

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