ChemSpider 2D Image | Ethyl {[4-(4-pyridinyl)-2-pyrimidinyl]sulfanyl}acetate | C13H13N3O2S

Ethyl {[4-(4-pyridinyl)-2-pyrimidinyl]sulfanyl}acetate

  • Molecular FormulaC13H13N3O2S
  • Average mass275.326 Da
  • Monoisotopic mass275.072845 Da
  • ChemSpider ID30656516

More details:

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

{[4-(4-Pyridinyl)-2-pyrimidinyl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[4-(4-pyridinyl)-2-pyrimidinyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[4-(4-pyridinyl)-2-pyrimidinyl]sulfanyl}acetate [ACD/IUPAC Name]
Ethyl-{[4-(4-pyridinyl)-2-pyrimidinyl]sulfanyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 436.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.5±24.6 °C
Index of Refraction: 1.610
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.11
ACD/KOC (pH 5.5): 319.17
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.11
ACD/KOC (pH 7.4): 319.18
Polar Surface Area: 90 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 211.4±5.0 cm3

Click to predict properties on the Chemicalize site


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