ChemSpider 2D Image | O,S-Diethyl O-[4-(methylsulfonyl)phenyl] phosphorothioate | C11H17O5PS2

O,S-Diethyl O-[4-(methylsulfonyl)phenyl] phosphorothioate

  • Molecular FormulaC11H17O5PS2
  • Average mass324.353 Da
  • Monoisotopic mass324.025513 Da
  • ChemSpider ID23620864

More details:

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

O,S-Diethyl O-[4-(methylsulfonyl)phenyl] phosphorothioate [ACD/IUPAC Name]
O,S-Diethyl-O-[4-(methylsulfonyl)phenyl]phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,S-diéthyle et de O-[4-(méthylsulfonyl)phényle] [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,S-diethyl O-[4-(methylsulfonyl)phenyl] ester [ACD/Index Name]
PHOSPHOROTHIOIC ACID, DIETHYL O-(P-(METHYLSULFONYL)PHENYL) ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 230.2±30.4 °C
Index of Refraction: 1.530
Molar Refractivity: 77.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 184.71
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.30
ACD/KOC (pH 7.4): 184.71
Polar Surface Area: 113 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 249.2±3.0 cm3

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