ChemSpider 2D Image | 2-Chloro-6-(1,3-thiazol-2-ylsulfanyl)isonicotinic acid | C9H5ClN2O2S2

2-Chloro-6-(1,3-thiazol-2-ylsulfanyl)isonicotinic acid

  • Molecular FormulaC9H5ClN2O2S2
  • Average mass272.731 Da
  • Monoisotopic mass271.948090 Da
  • ChemSpider ID71158274

More details:

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

2-Chlor-6-(1,3-thiazol-2-ylsulfanyl)isonicotinsäure [German] [ACD/IUPAC Name]
2-Chloro-6-(1,3-thiazol-2-ylsulfanyl)isonicotinic acid [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-chloro-6-(2-thiazolylthio)- [ACD/Index Name]
Acide 2-chloro-6-(1,3-thiazol-2-ylsulfanyl)isonicotinique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 593.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 313.0±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 93.2±5.0 dyne/cm
Molar Volume: 162.0±5.0 cm3

Click to predict properties on the Chemicalize site


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