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

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

  • Molecular FormulaC21H23NO3S
  • Average mass369.477 Da
  • Monoisotopic mass369.139862 Da
  • ChemSpider ID21399681

More details:

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

3-[3-(4-Thiomorpholinylméthyl)benzoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898762-92-0 [RN]
Benzoic acid, 3-[3-(4-thiomorpholinylmethyl)benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-(4-thiomorpholinylmethyl)benzoyl]benzoate [ACD/IUPAC Name]
Ethyl 3-{3-[(thiomorpholin-4-yl)methyl]benzoyl}benzoate
Ethyl-3-[3-(4-thiomorpholinylmethyl)benzoyl]benzoat [German] [ACD/IUPAC Name]
3-carboethoxy-3'-thiomorpholinomethyl benzophenone
3-carboethoxy-3-thiomorpholinomethyl benzophenone
3-carboethoxy-3'-thiomorpholinomethylbenzophenone
ethyl 3-[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: 536.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.3±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: 3.93
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 75.14
ACD/KOC (pH 5.5): 389.70
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 721.52
ACD/KOC (pH 7.4): 3741.76
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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