ChemSpider 2D Image | tert-butyl 2-(methylsulfanyl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate | C13H19N3O2S

tert-butyl 2-(methylsulfanyl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

  • Molecular FormulaC13H19N3O2S
  • Average mass281.374 Da
  • Monoisotopic mass281.119812 Da
  • ChemSpider ID24605624

More details:

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

1,1-Dimethylethyl 5,8-dihydro-2-(methylthio)pyrido[3,4-d]pyrimidine-7(6H)-carboxylate
1226776-86-8 [RN]
2-(Méthylsulfanyl)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(methylsulfanyl)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(methylsulfanyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-carboxylat [German] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 5,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-(methylsulfanyl)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
tert-butyl 2-(methylsulfanyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
tert-butyl 2-(methylsulfanyl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
TERT-BUTYL 2-(METHYLTHIO)-5,6-DIHYDROPYRIDO[3,4-D]PYRIMIDINE-7(8H)-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 420.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 208.1±28.7 °C
    Index of Refraction: 1.579
    Molar Refractivity: 75.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.57
    ACD/KOC (pH 5.5): 527.25
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.58
    ACD/KOC (pH 7.4): 527.28
    Polar Surface Area: 81 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 55.7±5.0 dyne/cm
    Molar Volume: 228.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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