ChemSpider 2D Image | O-[6-Methoxy-2-(2-methyl-2-propanyl)-4-pyrimidinyl] O-methyl ethylphosphonothioate | C12H21N2O3PS

O-[6-Methoxy-2-(2-methyl-2-propanyl)-4-pyrimidinyl] O-methyl ethylphosphonothioate

  • Molecular FormulaC12H21N2O3PS
  • Average mass304.345 Da
  • Monoisotopic mass304.101044 Da
  • ChemSpider ID62873877

More details:

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

117291-73-3 [RN]
Éthylphosphonothioate de O-[6-méthoxy-2-(2-méthyl-2-propanyl)-4-pyrimidinyle] et de O-méthyle [French] [ACD/IUPAC Name]
O-[6-Methoxy-2-(2-methyl-2-propanyl)-4-pyrimidinyl] O-methyl ethylphosphonothioate [ACD/IUPAC Name]
O-[6-Methoxy-2-(2-methyl-2-propanyl)-4-pyrimidinyl]-O-methyl-ethylphosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, ethyl-, O-[2-(1,1-dimethylethyl)-6-methoxy-4-pyrimidinyl] O-methyl ester
Phosphonothioic acid, P-ethyl-, O-[2-(1,1-dimethylethyl)-6-methoxy-4-pyrimidinyl] O-methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 176.6±30.7 °C
Index of Refraction: 1.518
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.61
ACD/KOC (pH 5.5): 1003.99
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.61
ACD/KOC (pH 7.4): 1003.99
Polar Surface Area: 95 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 262.0±3.0 cm3

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