ChemSpider 2D Image | Methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C11H12N4O4S

Methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC11H12N4O4S
  • Average mass296.302 Da
  • Monoisotopic mass296.057922 Da
  • ChemSpider ID59703170

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-7-acetic acid, 6-(methoxycarbonyl)-2-(methylthio)-, methyl ester [ACD/Index Name]
7-(2-Méthoxy-2-oxoéthyl)-2-(méthylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
2095933-15-4 [RN]
7-Methoxycarbonylmethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester
methyl 7-(2-methoxy-2-oxoethyl)-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
MFCD30728894

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.663
    Molar Refractivity: 73.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.88
    ACD/KOC (pH 5.5): 91.81
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.88
    ACD/KOC (pH 7.4): 91.81
    Polar Surface Area: 121 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 56.1±7.0 dyne/cm
    Molar Volume: 197.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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