ChemSpider 2D Image | N-[2-({[2-(Dimethylamino)ethyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamide | C14H20N6O5S

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

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID59561620

More details:

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

Benzamide, N-[2-[[[[2-(dimethylamino)ethyl]amino]thioxomethyl]amino]ethyl]-3,5-dinitro- [ACD/Index Name]
N-[2-({[2-(Dimethylamino)ethyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[2-({[2-(Dimethylamino)ethyl]carbamothioyl}amino)ethyl]-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[2-({[2-(Diméthylamino)éthyl]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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.63
Polar Surface Area: 180 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 282.4±3.0 cm3

Click to predict properties on the Chemicalize site


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