ChemSpider 2D Image | ETHYL2-METHYLTHIO-4-PYRIMIDIN-ACETATE | C9H12N2O2S

ETHYL2-METHYLTHIO-4-PYRIMIDIN-ACETATE

  • Molecular FormulaC9H12N2O2S
  • Average mass212.269 Da
  • Monoisotopic mass212.061951 Da
  • ChemSpider ID23500403

More details:

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

[2-(Méthylsulfanyl)-4-pyrimidinyl]acétate d'éthyle [French] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, 2-(methylthio)-, ethyl ester [ACD/Index Name]
582309-12-4 [RN]
Ethyl [2-(methylsulfanyl)-4-pyrimidinyl]acetate [ACD/IUPAC Name]
Ethyl [2-(methylsulfanyl)pyrimidin-4-yl]acetate
ethyl 2-(2-(methylthio)pyrimidin-4-yl)acetate
Ethyl-[2-(methylsulfanyl)-4-pyrimidinyl]acetat [German] [ACD/IUPAC Name]
ETHYL2-METHYLTHIO-4-PYRIMIDIN-ACETATE
(2-Methylsulfanyl-pyrimidin-4-yl)-acetic acid ethyl ester
[582309-12-4] [RN]
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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: 1.2±0.1 g/cm3
    Boiling Point: 326.7±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.9±3.0 kJ/mol
    Flash Point: 151.4±20.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 55.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 7.74
    ACD/KOC (pH 5.5): 150.59
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.74
    ACD/KOC (pH 7.4): 150.59
    Polar Surface Area: 77 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 52.5±5.0 dyne/cm
    Molar Volume: 175.1±5.0 cm3

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