ChemSpider 2D Image | Ethyl 4-(1,3-benzothiazol-6-ylamino)benzoate | C16H14N2O2S

Ethyl 4-(1,3-benzothiazol-6-ylamino)benzoate

  • Molecular FormulaC16H14N2O2S
  • Average mass298.360 Da
  • Monoisotopic mass298.077606 Da
  • ChemSpider ID21374252

More details:






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

4-(1,3-Benzothiazol-6-ylamino)benzoate d'éthyle [French] [ACD/IUPAC Name]
458550-54-4 [RN]
Benzoic acid, 4-(6-benzothiazolylamino)-, ethyl ester [ACD/Index Name]
Ethyl 4-(1,3-benzothiazol-6-ylamino)benzoate [ACD/IUPAC Name]
Ethyl-4-(1,3-benzothiazol-6-ylamino)benzoat [German] [ACD/IUPAC Name]
4-(Benzothiazol-6-ylamino)-benzoic acid ethyl ester
Ethyl 4-(benzo[d]thiazol-6-ylamino)benzoate
Ethyl 4-[(1,3-benzothiazol-6-yl)amino]benzoate
MFCD04115333
N-(4-Carbethoxyphenyl)-N-4-(6'-benzothiazole)amine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 479.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.7±23.2 °C
Index of Refraction: 1.687
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 532.02
ACD/KOC (pH 5.5): 3110.34
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.08
ACD/KOC (pH 7.4): 3110.70
Polar Surface Area: 79 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

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