ChemSpider 2D Image | O,O-Dimethyl S-(2-{[(2R)-1-(methylamino)-1-oxo-2-propanyl]sulfanyl}ethyl) phosphorothioate | C8H18NO4PS2

O,O-Dimethyl S-(2-{[(2R)-1-(methylamino)-1-oxo-2-propanyl]sulfanyl}ethyl) phosphorothioate

  • Molecular FormulaC8H18NO4PS2
  • Average mass287.337 Da
  • Monoisotopic mass287.041473 Da
  • ChemSpider ID34990898

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

O,O-Dimethyl S-(2-{[(2R)-1-(methylamino)-1-oxo-2-propanyl]sulfanyl}ethyl) phosphorothioate [ACD/IUPAC Name]
O,O-Dimethyl-S-(2-{[(2R)-1-(methylamino)-1-oxo-2-propanyl]sulfanyl}ethyl)phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de S-(2-{[(2R)-1-(méthylamino)-1-oxo-2-propanyl]sulfanyl}éthyle) et de O,O-diméthyle [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,O-dimethyl S-[2-[[(1R)-1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] ester [ACD/Index Name]
(2S)-2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide
(2S)-2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methyl-propanamide
(2S)-2-[2-(dimethoxyphosphorylthio)ethylthio]-N-methylpropanamide
(2S)-2-[2-(dimethoxyphosphorylthio)ethylthio]-N-methyl-propionamide
218-894-8 [EINECS]
2275-23-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.508
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 68.57
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.57
Polar Surface Area: 125 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

Click to predict properties on the Chemicalize site


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