ChemSpider 2D Image | 2-Amino-7-nitro-9H-thioxanthen-9-one | C13H8N2O3S

2-Amino-7-nitro-9H-thioxanthen-9-one

  • Molecular FormulaC13H8N2O3S
  • Average mass272.279 Da
  • Monoisotopic mass272.025574 Da
  • ChemSpider ID26667055

More details:

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

2-Amino-7-nitro-9H-thioxanthen-9-on [German] [ACD/IUPAC Name]
2-Amino-7-nitro-9H-thioxanthen-9-one [ACD/IUPAC Name]
2-Amino-7-nitro-9H-thioxanthén-9-one [French] [ACD/IUPAC Name]
9H-Thioxanthen-9-one, 2-amino-7-nitro- [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: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.765
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.28
ACD/KOC (pH 5.5): 1142.38
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.29
ACD/KOC (pH 7.4): 1142.49
Polar Surface Area: 114 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 176.2±3.0 cm3

Click to predict properties on the Chemicalize site


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