ChemSpider 2D Image | 1-[5-(2,4-dichloro-8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-yl)-2-thienyl]ethanone | C12H6Cl2N2OS2

1-[5-(2,4-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-yl)-2-thienyl]ethanone

  • Molecular FormulaC12H6Cl2N2OS2
  • Average mass329.225 Da
  • Monoisotopic mass327.929871 Da
  • ChemSpider ID47325934

More details:

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

Density: 1.7±0.1 g/cm3
Boiling Point: 529.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.2±32.9 °C
Index of Refraction: 1.787
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 70 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 193.8±7.0 cm3

Click to predict properties on the Chemicalize site


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