ChemSpider 2D Image | 5-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid | C9H6N2O2S

5-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC9H6N2O2S
  • Average mass206.221 Da
  • Monoisotopic mass206.014999 Da
  • ChemSpider ID22378595

More details:

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

1047676-42-5 [RN]
5-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid
5-(3-pyridyl)-1,3-thiazole-4-carboxylic acid
5-(Pyridin-3-yl)thiazole-4-carboxylic acid
5-Pyridin-3-yl-1,3-thiazole-4-carboxylic acid
MFCD09991774 [MDL number]
TS-00375

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

Density: 1.4±0.1 g/cm3
Boiling Point: 412.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 203.2±24.6 °C
Index of Refraction: 1.652
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement