Found 1743 results

Search term: MF = 'C_{8}H_{15}N_{3}S'
ChemSpider 2D Image | 5-tert-Butyl-4-ethyl-4H-1,2,4-triazole-3-thiol | C8H15N3S

5-tert-Butyl-4-ethyl-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC8H15N3S
  • Average mass185.290 Da
  • Monoisotopic mass185.098663 Da
  • ChemSpider ID21801427

More details:

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

3H-1,2,4-Triazole-3-thione, 5-(1,1-dimethylethyl)-4-ethyl-2,4-dihydro- [ACD/Index Name]
401630-14-6 [RN]
4-Ethyl-5-(2-methyl-2-propanyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Ethyl-5-(2-methyl-2-propanyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Éthyl-5-(2-méthyl-2-propanyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-tert-Butyl-4-ethyl-4H-1,2,4-triazole-3-thiol
3-tert-butyl-4-ethyl-1H-1,2,4-triazole-5-thione
5-(tert-butyl)-4-ethyl-1,2,4-triazole-3-thiol
5-(tert-Butyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

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

MFCD12028094 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 301.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.1±3.0 kJ/mol
    Flash Point: 136.0±23.2 °C
    Index of Refraction: 1.575
    Molar Refractivity: 54.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.07
    ACD/LogD (pH 7.4): 0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.47
    Polar Surface Area: 70 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 34.3±7.0 dyne/cm
    Molar Volume: 163.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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