Found 488 results

Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazole-6-carbonitrile | C16H9N3OS

2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazole-6-carbonitrile

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID90639277

More details:

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

2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-6-carbonitril [German] [ACD/IUPAC Name]
2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazole-6-carbonitrile [ACD/IUPAC Name]
2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazole-6-carbonitrile [French] [ACD/IUPAC Name]
6-Benzothiazolecarbonitrile, 2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.1±32.9 °C
Index of Refraction: 1.773
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.66
ACD/KOC (pH 5.5): 876.48
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.66
ACD/KOC (pH 7.4): 876.48
Polar Surface Area: 85 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 193.7±5.0 cm3

Click to predict properties on the Chemicalize site


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