ChemSpider 2D Image | Dimethyl 3-acetyl-3-(1,3-benzothiazol-2-yl)pentanedioate | C16H17NO5S

Dimethyl 3-acetyl-3-(1,3-benzothiazol-2-yl)pentanedioate

  • Molecular FormulaC16H17NO5S
  • Average mass335.375 Da
  • Monoisotopic mass335.082733 Da
  • ChemSpider ID24741086

More details:

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

3-Acétyl-3-(1,3-benzothiazol-2-yl)pentanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-acetyl-3-(1,3-benzothiazol-2-yl)pentanedioate [ACD/IUPAC Name]
Dimethyl-3-acetyl-3-(1,3-benzothiazol-2-yl)pentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 3-acetyl-3-(2-benzothiazolyl)-, dimethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.7±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.96
ACD/KOC (pH 5.5): 1045.28
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.96
ACD/KOC (pH 7.4): 1045.28
Polar Surface Area: 111 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

Click to predict properties on the Chemicalize site


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