There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

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

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

Click to predict properties on the Chemicalize site