ChemSpider 2D Image | 5-(2-Methyl-3-butyn-2-yl)-1,3,4-thiadiazol-2-amine | C7H9N3S

5-(2-Methyl-3-butyn-2-yl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC7H9N3S
  • Average mass167.232 Da
  • Monoisotopic mass167.051712 Da
  • ChemSpider ID29211849

More details:

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

1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethyl-2-propyn-1-yl)- [ACD/Index Name]
5-(2-Methyl-3-butin-2-yl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
5-(2-Methyl-3-butyn-2-yl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
5-(2-Méthyl-3-butyn-2-yl)-1,3,4-thiadiazol-2-amine [French] [ACD/IUPAC Name]
5-(2-methylbut-3-yn-2-yl)-1,3,4-thiadiazol-2-amine
97987-64-9 [RN]
1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethyl-2-propynyl)-
CS-14174
MFCD18206943

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 294.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 131.7±27.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 45.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.92
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.10
    ACD/KOC (pH 5.5): 111.50
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.15
    ACD/KOC (pH 7.4): 112.44
    Polar Surface Area: 80 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 58.0±3.0 dyne/cm
    Molar Volume: 134.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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