Found 488 results

Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 5-Hydroxy-2-(2-thienyl)-1H-pyrrolo[2,3-g]isoquinoline-3-carbonitrile | C16H9N3OS

5-Hydroxy-2-(2-thienyl)-1H-pyrrolo[2,3-g]isoquinoline-3-carbonitrile

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID108962727

More details:

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

1H-Pyrrolo[2,3-g]isoquinoline-3-carbonitrile, 5-hydroxy-2-(2-thienyl)- [ACD/Index Name]
5-Hydroxy-2-(2-thienyl)-1H-pyrrolo[2,3-g]isochinolin-3-carbonitril [German] [ACD/IUPAC Name]
5-Hydroxy-2-(2-thiényl)-1H-pyrrolo[2,3-g]isoquinoléine-3-carbonitrile [French] [ACD/IUPAC Name]
5-Hydroxy-2-(2-thienyl)-1H-pyrrolo[2,3-g]isoquinoline-3-carbonitrile [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.835
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 7.36
Polar Surface Area: 101 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


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