ChemSpider 2D Image | 2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]isonicotinonitrile | C13H7ClN4S

2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]isonicotinonitrile

  • Molecular FormulaC13H7ClN4S
  • Average mass286.740 Da
  • Monoisotopic mass286.007996 Da
  • ChemSpider ID24252835

More details:

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

2-[(6-Chlor-1,3-benzothiazol-2-yl)amino]isonicotinonitril [German] [ACD/IUPAC Name]
2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]isonicotinonitrile [ACD/IUPAC Name]
2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]isonicotinonitrile [French] [ACD/IUPAC Name]
4-Pyridinecarbonitrile, 2-[(6-chloro-2-benzothiazolyl)amino]- [ACD/Index Name]
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carbonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 465.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.5±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: 3.57
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 529.77
ACD/KOC (pH 5.5): 3100.89
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.84
ACD/KOC (pH 7.4): 3101.32
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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