ChemSpider 2D Image | O-Ethyl O-[2-(propylsulfinyl)ethyl] (S)-methylphosphonothioate | C8H19O3PS2

O-Ethyl O-[2-(propylsulfinyl)ethyl] (S)-methylphosphonothioate

  • Molecular FormulaC8H19O3PS2
  • Average mass258.338 Da
  • Monoisotopic mass258.051331 Da
  • ChemSpider ID57507109

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(S)-Méthylphosphonothioate de O-éthyle et de O-[2-(propylsulfinyl)éthyle] [French] [ACD/IUPAC Name]
O-Ethyl O-[2-(propylsulfinyl)ethyl] (S)-methylphosphonothioate [ACD/IUPAC Name]
O-Ethyl-O-[2-(propylsulfinyl)ethyl]-(S)-methylphosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-[(1S)-methyl]-, O-ethyl O-[2-(propylsulfinyl)ethyl] ester, (S)- [ACD/Index Name]
(S)-(O-ETHYL O-2-[(S)-PROPANE-1-SULFINYL]ETHYL METHYLPHOSPHONOTHIOATE)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 374.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 180.0±28.4 °C
Index of Refraction: 1.523
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.29
ACD/KOC (pH 5.5): 221.79
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.29
ACD/KOC (pH 7.4): 221.79
Polar Surface Area: 97 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

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