ChemSpider 2D Image | (+)-Etozolin | C13H20N2O3S

(+)-Etozolin

  • Molecular FormulaC13H20N2O3S
  • Average mass284.375 Da
  • Monoisotopic mass284.119476 Da
  • ChemSpider ID21163133

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-Etozolin
[(5S)-3-Méthyl-4-oxo-5-(1-pipéridinyl)-1,3-thiazolidin-2-ylidène]acétate d'éthyle [French] [ACD/IUPAC Name]
278-423-7 [EINECS]
76333-71-6 [RN]
Acetic acid, 2-[(5S)-3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, ethyl ester [ACD/Index Name]
Ethyl [(5S)-3-methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-ylidene]acetate [ACD/IUPAC Name]
Ethyl-[(5S)-3-methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-yliden]acetat [German] [ACD/IUPAC Name]
ethyl (S)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 449.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.6±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.92
ACD/KOC (pH 5.5): 333.85
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.88
ACD/KOC (pH 7.4): 347.34
Polar Surface Area: 75 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

Click to predict properties on the Chemicalize site


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