ChemSpider 2D Image | S-[2-(Diethylamino)ethyl] O-isobutyl (S)-methylphosphonothioate | C11H26NO2PS

S-[2-(Diethylamino)ethyl] O-isobutyl (S)-methylphosphonothioate

  • Molecular FormulaC11H26NO2PS
  • Average mass267.368 Da
  • Monoisotopic mass267.142181 Da
  • ChemSpider ID34992042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Méthylphosphonothioate de S-[2-(diéthylamino)éthyle] et de O-isobutyle [French] [ACD/IUPAC Name]
Phosphonothioic acid, P-[(1S)-methyl]-, S-[2-(diethylamino)ethyl] O-(2-methylpropyl) ester, (S)- [ACD/Index Name]
S-[2-(Diethylamino)ethyl] O-isobutyl (S)-methylphosphonothioate [ACD/IUPAC Name]
S-[2-(Diethylamino)ethyl]-O-isobutyl-(S)-methylphosphonothioat [German] [ACD/IUPAC Name]
159939-87-4 [RN]
UNII-LG34LSI9IU
VR

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

Density: 1.0±0.1 g/cm3
Boiling Point: 323.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.5±28.4 °C
Index of Refraction: 1.471
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 65 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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