ChemSpider 2D Image | O-(2-Chlorophenyl) S-(2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}ethyl) hydrogen phosphorothioate | C28H27ClNO4PS

O-(2-Chlorophenyl) S-(2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}ethyl) hydrogen phosphorothioate

  • Molecular FormulaC28H27ClNO4PS
  • Average mass540.010 Da
  • Monoisotopic mass539.108704 Da
  • ChemSpider ID2340163

More details:

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

Hydrogénophosphorothioate de O-(2-chlorophényle) et de S-(2-{[(4-méthoxyphényl)(diphényl)méthyl]amino}éthyle) [French] [ACD/IUPAC Name]
O-(2-Chlorophenyl) S-(2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}ethyl) hydrogen phosphorothioate [ACD/IUPAC Name]
O-(2-Chlorphenyl)-S-(2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}ethyl)hydrogenphosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioic acid, O-(2-chlorophenyl) S-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]ethyl] ester [ACD/Index Name]
116454-97-8 [RN]
MCPT
O-(2-Chlorophenyl) S-(2-(((4-methoxyphenyl)diphenylmethyl)amino)ethyl) phosphorothioate
Phosphorothioic acid, O-(2-chlorophenyl) S-(2-(((4-methoxyphenyl)diphenylmethyl)amino)ethyl) ester
Phosphorothioic acid,O-(2-chlorophenyl) S-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]ethyl] ester
S-(N-monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 138.02
ACD/KOC (pH 5.5): 226.70
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 34.72
ACD/KOC (pH 7.4): 57.03
Polar Surface Area: 103 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

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