ChemSpider 2D Image | 5-Chloro-3-(ethylsulfanyl)-2-pyridinecarboxylic acid | C8H8ClNO2S

5-Chloro-3-(ethylsulfanyl)-2-pyridinecarboxylic acid

  • Molecular FormulaC8H8ClNO2S
  • Average mass217.673 Da
  • Monoisotopic mass216.996429 Da
  • ChemSpider ID114780700

More details:

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

2-Pyridinecarboxylic acid, 5-chloro-3-(ethylthio)- [ACD/Index Name]
5-Chlor-3-(ethylsulfanyl)-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-(ethylsulfanyl)-2-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-(éthylsulfanyl)-2-pyridinecarboxylique [French] [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: 351.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.5±27.9 °C
Index of Refraction: 1.615
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 151.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement