ChemSpider 2D Image | Ethyl 3-(2-thiazolyl)benzoate | C12H11NO2S

Ethyl 3-(2-thiazolyl)benzoate

  • Molecular FormulaC12H11NO2S
  • Average mass233.286 Da
  • Monoisotopic mass233.051056 Da
  • ChemSpider ID21472704

More details:

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

3-(1,3-Thiazol-2-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
886851-29-2 [RN]
Benzoic acid, 3-(2-thiazolyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-(1,3-thiazol-2-yl)benzoate [ACD/IUPAC Name]
Ethyl 3-(2-thiazolyl)benzoate
Ethyl-3-(1,3-thiazol-2-yl)benzoat [German] [ACD/IUPAC Name]
[886851-29-2] [RN]
852180-72-4 [RN]
Benzoic acid,3-(2-thiazolyl)-, ethyl ester
Benzoic acid,3-(2-thiazolyl)-,ethyl ester
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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: 378.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 182.9±28.4 °C
Index of Refraction: 1.579
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.52
ACD/KOC (pH 5.5): 1491.22
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.58
ACD/KOC (pH 7.4): 1491.71
Polar Surface Area: 67 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

Click to predict properties on the Chemicalize site


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