ChemSpider 2D Image | ethyl 2-(2-(methylthio)pyrimidin-4-yl)-2-oxoacetate | C9H10N2O3S

ethyl 2-(2-(methylthio)pyrimidin-4-yl)-2-oxoacetate

  • Molecular FormulaC9H10N2O3S
  • Average mass226.252 Da
  • Monoisotopic mass226.041214 Da
  • ChemSpider ID23500404

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

(2-methylthiopyrimidin-4-yl)-2-oxoacetic acid ethyl ester
[2-(Méthylsulfanyl)-4-pyrimidinyl](oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
1211595-04-8 [RN]
4-Pyrimidineacetic acid, 2-(methylthio)-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl [2-(methylsulfanyl)-4-pyrimidinyl](oxo)acetate [ACD/IUPAC Name]
Ethyl [2-(methylsulfanyl)pyrimidin-4-yl](oxo)acetate
ethyl 2-(2-(methylthio)pyrimidin-4-yl)-2-oxoacetate
Ethyl-[2-(methylsulfanyl)-4-pyrimidinyl](oxo)acetat [German] [ACD/IUPAC Name]
(2-Methylsulfanyl-pyrimidin-4-yl)-oxo-acetic acid ethyl ester
2-(METHYLTHIO)-α-OXO-4-PYRIMIDINEACETIC ACID ETHYL ESTER
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 363.4±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.0±3.0 kJ/mol
    Flash Point: 173.6±20.4 °C
    Index of Refraction: 1.558
    Molar Refractivity: 55.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.30
    ACD/KOC (pH 5.5): 144.48
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.30
    ACD/KOC (pH 7.4): 144.48
    Polar Surface Area: 94 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 58.6±5.0 dyne/cm
    Molar Volume: 172.1±5.0 cm3

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