ChemSpider 2D Image | O-[2-(Dimethylamino)-6-methyl-4-pyridinyl] O,O-diethyl phosphorothioate | C12H21N2O3PS

O-[2-(Dimethylamino)-6-methyl-4-pyridinyl] O,O-diethyl phosphorothioate

  • Molecular FormulaC12H21N2O3PS
  • Average mass304.345 Da
  • Monoisotopic mass304.101044 Da
  • ChemSpider ID23621237

More details:

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

O-[2-(Dimethylamino)-6-methyl-4-pyridinyl] O,O-diethyl phosphorothioate [ACD/IUPAC Name]
O-[2-(Dimethylamino)-6-methyl-4-pyridinyl]-O,O-diethylphosphorothioat [German] [ACD/IUPAC Name]
O-[2-(Dimethylamino)-6-methylpyridin-4-yl] O,O-diethyl phosphorothioate
Phosphorothioate de O-[2-(diméthylamino)-6-méthyl-4-pyridinyle] et de O,O-diéthyle [French] [ACD/IUPAC Name]
Phosphorothioic acid, O-[2-(dimethylamino)-6-methyl-4-pyridinyl] O,O-diethyl ester [ACD/Index Name]
PHOSPHOROTHIOIC ACID, O-(2-(DIMETHYLAMINO)-6-METHYL-4-PYRIDINYL) O,O-DIETHYL ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 383.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.8±30.7 °C
Index of Refraction: 1.553
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 18.35
ACD/KOC (pH 5.5): 97.04
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 479.35
ACD/KOC (pH 7.4): 2534.71
Polar Surface Area: 86 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 255.2±3.0 cm3

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