ChemSpider 2D Image | S-[(1S)-2-Chloro-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] O,O-diethyl phosphorodithioate | C14H17ClNO4PS2

S-[(1S)-2-Chloro-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] O,O-diethyl phosphorodithioate

  • Molecular FormulaC14H17ClNO4PS2
  • Average mass393.846 Da
  • Monoisotopic mass393.002502 Da
  • ChemSpider ID23621536

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Phosphorodithioate de S-[(1S)-2-chloro-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthyle] et de O,O-diéthyle [French] [ACD/IUPAC Name]
Phosphorodithioic acid, S-[(1S)-2-chloro-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl] O,O-diethyl ester [ACD/Index Name]
S-[(1S)-2-Chlor-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-O,O-diethylphosphorodithioat [German] [ACD/IUPAC Name]
S-[(1S)-2-Chloro-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] O,O-diethyl phosphorodithioate [ACD/IUPAC Name]
S-2-CHLORO-1-PHTHALIMIDOETHYL O,O-DIETHYL PHOSPHORODITHIOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1763.61
ACD/KOC (pH 5.5): 7334.54
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1763.61
ACD/KOC (pH 7.4): 7334.54
Polar Surface Area: 123 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

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