ChemSpider 2D Image | 2-[(5-Chloro-2-pyridinyl)amino]-1,3-benzothiazole-6-carbonitrile | C13H7ClN4S

2-[(5-Chloro-2-pyridinyl)amino]-1,3-benzothiazole-6-carbonitrile

  • Molecular FormulaC13H7ClN4S
  • Average mass286.740 Da
  • Monoisotopic mass286.007996 Da
  • ChemSpider ID23336601

More details:

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

2-[(5-Chlor-2-pyridinyl)amino]-1,3-benzothiazol-6-carbonitril [German] [ACD/IUPAC Name]
2-[(5-Chloro-2-pyridinyl)amino]-1,3-benzothiazole-6-carbonitrile [ACD/IUPAC Name]
2-[(5-Chloro-2-pyridinyl)amino]-1,3-benzothiazole-6-carbonitrile [French] [ACD/IUPAC Name]
6-Benzothiazolecarbonitrile, 2-[(5-chloro-2-pyridinyl)amino]- [ACD/Index Name]
2-[(5-chloropyridin-2-yl)amino]-1,3-benzothiazole-6-carbonitrile
6-Cyano-2-(N-(5-chloropyridin-2-yl)amino)benzothiazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473264/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 485.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.3±31.5 °C
Index of Refraction: 1.737
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.44
ACD/KOC (pH 5.5): 2046.49
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.47
ACD/KOC (pH 7.4): 2046.66
Polar Surface Area: 90 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 188.5±5.0 cm3

Click to predict properties on the Chemicalize site


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