ChemSpider 2D Image | pyrrolobenzothiazole | C9H6N2S

pyrrolobenzothiazole

  • Molecular FormulaC9H6N2S
  • Average mass174.222 Da
  • Monoisotopic mass174.025162 Da
  • ChemSpider ID24182512

More details:

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

2H-[1,3]Thiazolo[5,4-e]indol [German] [ACD/IUPAC Name]
2H-[1,3]Thiazolo[5,4-e]indole [ACD/IUPAC Name]
2H-[1,3]Thiazolo[5,4-e]indole [French] [ACD/IUPAC Name]
2H-Thiazolo[5,4-e]indole [ACD/Index Name]
42852-43-7 [RN]
pyrrolobenzothiazole
2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol
2H-PYRROLO[2,3-G]BENZO[D]THIAZOLE
2H-Pyrrolo[2,3-g]benzothiazole
2H-Pyrrolo[2,3-g]benzothiazole (9CI)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 296.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 133.0±27.3 °C
Index of Refraction: 1.818
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.18
ACD/KOC (pH 5.5): 90.26
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.35
ACD/KOC (pH 7.4): 115.50
Polar Surface Area: 50 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 115.7±7.0 cm3

Click to predict properties on the Chemicalize site


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