ChemSpider 2D Image | 5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol | C7H13N3S

5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC7H13N3S
  • Average mass171.263 Da
  • Monoisotopic mass171.083023 Da
  • ChemSpider ID21329997

More details:

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

3H-1,2,4-Triazole-3-thione, 5-ethyl-2,4-dihydro-4-(1-methylethyl)- [ACD/Index Name]
5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
5-Ethyl-4-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-Ethyl-4-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-Éthyl-4-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
869941-86-6 [RN]
3-ethyl-4-propan-2-yl-1H-1,2,4-triazole-5-thione
VS-14376

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

MFCD03423408 [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: 293.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±3.0 kJ/mol
    Flash Point: 131.5±22.6 °C
    Index of Refraction: 1.603
    Molar Refractivity: 49.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.65
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.42
    Polar Surface Area: 70 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 35.9±7.0 dyne/cm
    Molar Volume: 142.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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