ChemSpider 2D Image | Ethyl 4-[(chloroacetyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate | C10H12ClN3O3S

Ethyl 4-[(chloroacetyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate

  • Molecular FormulaC10H12ClN3O3S
  • Average mass289.739 Da
  • Monoisotopic mass289.028778 Da
  • ChemSpider ID24595253

More details:

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

4-[(2-Chloroacétyl)amino]-2-(méthylsulfanyl)-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[(2-chloroacetyl)amino]-2-(methylthio)-, ethyl ester [ACD/Index Name]
Ethyl 4-[(chloroacetyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(chloracetyl)amino]-2-(methylsulfanyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1223885-59-3 [RN]
4-(2-Chloro-acetylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
AGN-PC-079ZHQ
AKOS005638656
BBL006504
ethyl 4-(2-chloroacetamido)-2-(methylthio)pyrimidine-5-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 510.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.1±3.0 kJ/mol
    Flash Point: 262.5±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 68.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.00
    ACD/KOC (pH 5.5): 397.14
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.64
    ACD/KOC (pH 7.4): 392.32
    Polar Surface Area: 106 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 207.1±5.0 cm3

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