ChemSpider 2D Image | Ethyl 2-[3-(4-thiomorpholinylmethyl)benzoyl]benzoate | C21H23NO3S

Ethyl 2-[3-(4-thiomorpholinylmethyl)benzoyl]benzoate

  • Molecular FormulaC21H23NO3S
  • Average mass369.477 Da
  • Monoisotopic mass369.139862 Da
  • ChemSpider ID21399680

More details:

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

2-[3-(4-Thiomorpholinylméthyl)benzoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898762-90-8 [RN]
Benzoic acid, 2-[3-(4-thiomorpholinylmethyl)benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-[3-(4-thiomorpholinylmethyl)benzoyl]benzoate [ACD/IUPAC Name]
Ethyl 2-{3-[(thiomorpholin-4-yl)methyl]benzoyl}benzoate
Ethyl-2-[3-(4-thiomorpholinylmethyl)benzoyl]benzoat [German] [ACD/IUPAC Name]
2-carboethoxy-3'-thiomorpholinomethyl benzophenone
2-carboethoxy-3-thiomorpholinomethyl benzophenone
2-carboethoxy-3'-thiomorpholinomethylbenzophenone
ethyl 2-[3-(thiomorpholin-4-ylmethyl)benzoyl]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 49.24
ACD/KOC (pH 5.5): 288.34
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 470.96
ACD/KOC (pH 7.4): 2757.62
Polar Surface Area: 72 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


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