ChemSpider 2D Image | 1-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)thiourea | C13H9N3O2S

1-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)thiourea

  • Molecular FormulaC13H9N3O2S
  • Average mass271.294 Da
  • Monoisotopic mass271.041534 Da
  • ChemSpider ID30657740

More details:

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

1-(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)thiourée [French] [ACD/IUPAC Name]
1-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)thiourea [ACD/IUPAC Name]
Thiourea, N-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)- [ACD/Index 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: 515.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.7±25.4 °C
Index of Refraction: 1.821
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 107.74
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 72.40
Polar Surface Area: 108 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 171.3±5.0 cm3

Click to predict properties on the Chemicalize site


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