ChemSpider 2D Image | O-Ethyl S-{[(2-methyl-2-propanyl)sulfanyl]methyl} methylphosphonothioate | C8H19O2PS2

O-Ethyl S-{[(2-methyl-2-propanyl)sulfanyl]methyl} methylphosphonothioate

  • Molecular FormulaC8H19O2PS2
  • Average mass242.339 Da
  • Monoisotopic mass242.056412 Da
  • ChemSpider ID21252725

More details:

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

Méthylphosphonothioate de O-éthyle et de S-{[(2-méthyl-2-propanyl)sulfanyl]méthyle} [French] [ACD/IUPAC Name]
O-Ethyl S-{[(2-methyl-2-propanyl)sulfanyl]methyl} methylphosphonothioate [ACD/IUPAC Name]
O-Ethyl-S-{[(2-methyl-2-propanyl)sulfanyl]methyl}-methylphosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-methyl-, S-[[(1,1-dimethylethyl)thio]methyl] O-ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 128.0±27.9 °C
Index of Refraction: 1.493
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.06
ACD/KOC (pH 5.5): 328.93
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.06
ACD/KOC (pH 7.4): 328.93
Polar Surface Area: 87 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 219.1±3.0 cm3

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