ChemSpider 2D Image | Benzyl (1-oxido-1,3-benzothiazol-3(2H)-yl)acetate | C16H15NO3S

Benzyl (1-oxido-1,3-benzothiazol-3(2H)-yl)acetate

  • Molecular FormulaC16H15NO3S
  • Average mass301.360 Da
  • Monoisotopic mass301.077271 Da
  • ChemSpider ID26515816

More details:

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

(1-Oxydo-1,3-benzothiazol-3(2H)-yl)acétate de benzyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, phenylmethyl ester, 1-oxide [ACD/Index Name]
Benzyl (1-oxido-1,3-benzothiazol-3(2H)-yl)acetate [ACD/IUPAC Name]
Benzyl-(1-oxido-1,3-benzothiazol-3(2H)-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 510.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.4±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.61
ACD/KOC (pH 5.5): 354.62
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.61
ACD/KOC (pH 7.4): 354.62
Polar Surface Area: 66 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 216.7±5.0 cm3

Click to predict properties on the Chemicalize site


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