ChemSpider 2D Image | Ethyl (2R)-[(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate | C12H17O4PS2

Ethyl (2R)-[(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate

  • Molecular FormulaC12H17O4PS2
  • Average mass320.365 Da
  • Monoisotopic mass320.030579 Da
  • ChemSpider ID34991611
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-[(Diméthoxyphosphorothioyl)sulfanyl](phényl)acétate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(dimethoxyphosphinothioyl)thio]-, ethyl ester, (αR)- [ACD/Index Name]
Ethyl (2R)-[(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate [ACD/IUPAC Name]
Ethyl-(2R)-[(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetat [German] [ACD/IUPAC Name]
(2S)-2-(dimethoxyphosphinothioylthio)-2-phenylacetic acid ethyl ester
(2S)-2-(dimethoxythiophosphorylthio)-2-phenyl-acetic acid ethyl ester
219-997-0 [EINECS]
2597-03-7 [RN]
ethyl (2S)-2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
ethyl (2S)-2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 379.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 183.3±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.89
ACD/KOC (pH 5.5): 3541.93
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.89
ACD/KOC (pH 7.4): 3541.93
Polar Surface Area: 112 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 251.2±3.0 cm3

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