ChemSpider 2D Image | O,O-Diethyl S-[2-(methylsulfanyl)ethyl] phosphorothioate | C7H17O3PS2

O,O-Diethyl S-[2-(methylsulfanyl)ethyl] phosphorothioate

  • Molecular FormulaC7H17O3PS2
  • Average mass244.312 Da
  • Monoisotopic mass244.035675 Da
  • ChemSpider ID21252890

More details:

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

O,O-Diethyl S-[2-(methylsulfanyl)ethyl] phosphorothioate [ACD/IUPAC Name]
O,O-Diethyl-S-[2-(methylsulfanyl)ethyl]phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,O-diéthyle et de S-[2-(méthylsulfanyl)éthyle] [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,O-diethyl S-[2-(methylthio)ethyl] 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: 304.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 137.7±28.4 °C
Index of Refraction: 1.494
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.68
ACD/KOC (pH 5.5): 238.10
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.68
ACD/KOC (pH 7.4): 238.10
Polar Surface Area: 96 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 208.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement