ChemSpider 2D Image | Benzyl N'-(benzylcarbamothioyl)-N-methyl-N-phenylcarbamimidothioate | C23H23N3S2

Benzyl N'-(benzylcarbamothioyl)-N-methyl-N-phenylcarbamimidothioate

  • Molecular FormulaC23H23N3S2
  • Average mass405.579 Da
  • Monoisotopic mass405.133331 Da
  • ChemSpider ID82966819

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzyl N'-(benzylcarbamothioyl)-N-methyl-N-phenylcarbamimidothioate [ACD/IUPAC Name]
Benzyl-N'-(benzylcarbamothioyl)-N-methyl-N-phenylcarbamimidothioat [German] [ACD/IUPAC Name]
Carbamimidothioic acid, N-methyl-N-phenyl-N'-[[(phenylmethyl)amino]thioxomethyl]-, phenylmethyl ester [ACD/Index Name]
N'-(Benzylcarbamothioyl)-N-méthyl-N-phénylcarbamimidothioate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.1±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.5±30.9 °C
Index of Refraction: 1.617
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12654.04
ACD/KOC (pH 5.5): 30058.17
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12653.97
ACD/KOC (pH 7.4): 30058.00
Polar Surface Area: 85 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 359.7±7.0 cm3

Click to predict properties on the Chemicalize site


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