ChemSpider 2D Image | 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol | C10H7N5S

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

  • Molecular FormulaC10H7N5S
  • Average mass229.261 Da
  • Monoisotopic mass229.042221 Da
  • ChemSpider ID23375889

More details:

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

3H-1,2,3-Triazolo[4,5-d]pyrimidine-7-thiol, 3-phenyl- [ACD/Index Name]
3-Phenyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-thion [German] [ACD/IUPAC Name]
3-Phenyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [ACD/IUPAC Name]
3-Phényl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [French] [ACD/IUPAC Name]
3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
13925-53-6 [RN]
3-phenyl-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
3-Phenyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7(6H)-thione
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 443.5±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 222.0±29.6 °C
    Index of Refraction: 1.833
    Molar Refractivity: 64.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 66.5±7.0 dyne/cm
    Molar Volume: 146.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement