ChemSpider 2D Image | O-Ethyl S-methyl (S)-(chloromethyl)phosphonothioate | C4H10ClO2PS

O-Ethyl S-methyl (S)-(chloromethyl)phosphonothioate

  • Molecular FormulaC4H10ClO2PS
  • Average mass188.613 Da
  • Monoisotopic mass187.982758 Da
  • ChemSpider ID61470562

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(Chlorométhyl)phosphonothioate de O-éthyle et de S-méthyle [French] [ACD/IUPAC Name]
O-Ethyl S-methyl (S)-(chloromethyl)phosphonothioate [ACD/IUPAC Name]
O-Ethyl-S-methyl-(S)-(chlormethyl)phosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-[(1S)-chloromethyl]-, O-ethyl S-methyl ester, (S)- [ACD/Index Name]
1931912-76-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 225.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 90.2±27.9 °C
Index of Refraction: 1.471
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.14
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 77.14
Polar Surface Area: 61 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 150.4±3.0 cm3

Click to predict properties on the Chemicalize site


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