ChemSpider 2D Image | 6H-Pyrrolo[3,2-b:4,5-b′]bis[1,4]benzothiazine | C16H9N3S2

6H-Pyrrolo[3,2-b:4,5-b′]bis[1,4]benzothiazine

  • Molecular FormulaC16H9N3S2
  • Average mass307.393 Da
  • Monoisotopic mass307.023773 Da
  • ChemSpider ID25936351

More details:

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

5H-[1,4]Benzothiazino[2',3':4,5]pyrrolo[3,2-b][1,4]benzothiazin [German] [ACD/IUPAC Name]
5H-[1,4]Benzothiazino[2',3':4,5]pyrrolo[3,2-b][1,4]benzothiazine [ACD/IUPAC Name]
5H-[1,4]Benzothiazino[2',3':4,5]pyrrolo[3,2-b][1,4]benzothiazine [French] [ACD/IUPAC Name]
6H-Dibenzo[e,e']pyrrolo[3,2-b:4,5-b']bis[1,4]thiazine [ACD/Index Name]
6H-Pyrrolo[3,2-b:4,5-b′]bis[1,4]benzothiazine
6H-Pyrrolo[3,2-b:4,5-b']bis[1,4]benzothiazine
6H-pyrrolo[3,2-b:4,5-b′]bis[1,4] benzothiazine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 458.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.9±31.5 °C
Index of Refraction: 1.894
Molar Refractivity: 88.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 426.27
ACD/KOC (pH 5.5): 2654.18
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.27
ACD/KOC (pH 7.4): 2654.21
Polar Surface Area: 87 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 190.8±7.0 cm3

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