ChemSpider 2D Image | 3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol | C6H7N5S

3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol

  • Molecular FormulaC6H7N5S
  • Average mass181.218 Da
  • Monoisotopic mass181.042221 Da
  • ChemSpider ID23375682

More details:

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

3-Ethyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-thion [German] [ACD/IUPAC Name]
3-Ethyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [ACD/IUPAC Name]
3-Éthyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [French] [ACD/IUPAC Name]
3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
3H-1,2,3-Triazolo[4,5-d]pyrimidine-7-thiol, 3-ethyl- [ACD/Index Name]
1105191-09-0 [RN]
3-ethyl-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
AKOS005208010
F2147-0546
L-5218
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 375.1±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 180.7±22.3 °C
    Index of Refraction: 1.837
    Molar Refractivity: 48.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.83
    ACD/LogD (pH 5.5): -2.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 64.9±7.0 dyne/cm
    Molar Volume: 109.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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