ChemSpider 2D Image | O,S-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate | C12H21N2O3PS

O,S-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate

  • Molecular FormulaC12H21N2O3PS
  • Average mass304.345 Da
  • Monoisotopic mass304.101044 Da
  • ChemSpider ID57442166

More details:

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

O,S-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate [ACD/IUPAC Name]
O,S-Diethyl-O-(2-isopropyl-6-methyl-4-pyrimidinyl)phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,S-diéthyle et de O-(2-isopropyl-6-méthyl-4-pyrimidinyle) [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,S-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester [ACD/Index Name]
PHOSPHOROTHIOIC ACIDO,S-DIETHYL O-(6-METHYL-2-(ISOPROPYL)-PYRIMIDIN-4-YL) 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: 380.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 184.2±28.4 °C
Index of Refraction: 1.516
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.74
ACD/KOC (pH 5.5): 537.09
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.74
ACD/KOC (pH 7.4): 537.11
Polar Surface Area: 96 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 260.2±3.0 cm3

Click to predict properties on the Chemicalize site


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