ChemSpider 2D Image | 3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol | C11H9N5OS

3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol

  • Molecular FormulaC11H9N5OS
  • Average mass259.287 Da
  • Monoisotopic mass259.052765 Da
  • ChemSpider ID23376117

More details:

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

3-(3-Methoxyphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-thion [German] [ACD/IUPAC Name]
3-(3-Methoxyphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [ACD/IUPAC Name]
3-(3-Méthoxyphényl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione [French] [ACD/IUPAC Name]
3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
3H-1,2,3-Triazolo[4,5-d]pyrimidine-7-thiol, 3-(3-methoxyphenyl)- [ACD/Index Name]
1082437-20-4 [RN]
3-(3-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol
3-(3-methoxyphenyl)-3,6-dihydro-7h-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
AKOS005207626
AKOS022220406
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 482.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 245.5±31.5 °C
    Index of Refraction: 1.776
    Molar Refractivity: 70.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): -1.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 60.2±7.0 dyne/cm
    Molar Volume: 168.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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