ChemSpider 2D Image | Methyl 5-chloro-6-methyl-2-(methylsulfanyl)-4-pyrimidinecarboxylate | C8H9ClN2O2S

Methyl 5-chloro-6-methyl-2-(methylsulfanyl)-4-pyrimidinecarboxylate

  • Molecular FormulaC8H9ClN2O2S
  • Average mass232.687 Da
  • Monoisotopic mass232.007324 Da
  • ChemSpider ID28474480

More details:

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

1378865-49-6 [RN]
4-Pyrimidinecarboxylic acid, 5-chloro-6-methyl-2-(methylthio)-, methyl ester [ACD/Index Name]
5-Chloro-6-méthyl-2-(méthylsulfanyl)-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-6-methyl-2-(methylsulfanyl)-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-5-chlor-6-methyl-2-(methylsulfanyl)-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
5-Chloro-6-methyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid methyl ester
Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-19211]
    • Safety:

      20/21/22 Novochemy [NC-19211]
      20/21/36/37/39 Novochemy [NC-19211]
      GHS07; GHS09 Novochemy [NC-19211]
      H332; H403 Novochemy [NC-19211]
      P301+P310; P337+P313 Novochemy [NC-19211]
      R52/53 Novochemy [NC-19211]
      Warning Novochemy [NC-19211]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 356.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 169.4±26.5 °C
Index of Refraction: 1.570
Molar Refractivity: 55.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.16
ACD/KOC (pH 5.5): 506.67
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.16
ACD/KOC (pH 7.4): 506.67
Polar Surface Area: 77 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

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