ChemSpider 2D Image | N-[2-({[3-(Dimethylamino)propyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamide | C15H22N6O5S

N-[2-({[3-(Dimethylamino)propyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamide

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID59561608

More details:

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

Benzamide, N-[2-[[[[3-(dimethylamino)propyl]amino]thioxomethyl]amino]ethyl]-3,5-dinitro- [ACD/Index Name]
N-[2-({[3-(Dimethylamino)propyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[2-({[3-(Dimethylamino)propyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[2-({[3-(Diméthylamino)propyl]carbamothioyl}amino)éthyl]-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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