ChemSpider 2D Image | Methyl 4-({[5-chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoate | C11H14ClN3O3S

Methyl 4-({[5-chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoate

  • Molecular FormulaC11H14ClN3O3S
  • Average mass303.765 Da
  • Monoisotopic mass303.044434 Da
  • ChemSpider ID24758879

More details:

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

4-({[5-Chloro-2-(méthylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[5-chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoate [ACD/IUPAC Name]
Methyl-4-({[5-chlor-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
1225145-93-6 [RN]
methyl 4-({[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}amino)butanoate
methyl 4-(5-chloro-2-(methylthio)pyrimidine-4-carboxamido)butanoate
methyl 4-[(5-chloro-2-methylthiopyrimidin-4-yl)carbonylamino]butanoate
methyl 4-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]formamido}butanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±27.3 °C
Index of Refraction: 1.569
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 156.79
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.19
ACD/KOC (pH 7.4): 156.77
Polar Surface Area: 106 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 223.4±5.0 cm3

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