ChemSpider 2D Image | 3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol | C5H5N5S

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

  • Molecular FormulaC5H5N5S
  • Average mass167.192 Da
  • Monoisotopic mass167.026566 Da
  • ChemSpider ID23375657

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-methyl- [ACD/Index Name]
3-Methyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-thion [German] [ACD/IUPAC Name]
3-Methyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [ACD/IUPAC Name]
3-Méthyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [French] [ACD/IUPAC Name]
3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
21323-73-9 [RN]
3-methyl-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
AKOS005208435
F2147-0544
L-5217
More...

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 376.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 181.7±22.3 °C
    Index of Refraction: 1.911
    Molar Refractivity: 43.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.37
    ACD/LogD (pH 5.5): -2.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 72.3±7.0 dyne/cm
    Molar Volume: 93.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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