ChemSpider 2D Image | N-(4-Methylphenyl)-N'-[(4-methylphenyl)carbamothioyl]benzenecarboximidamide | C22H21N3S

N-(4-Methylphenyl)-N'-[(4-methylphenyl)carbamothioyl]benzenecarboximidamide

  • Molecular FormulaC22H21N3S
  • Average mass359.487 Da
  • Monoisotopic mass359.145630 Da
  • ChemSpider ID21128133

More details:

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

Benzenecarboximidamide, N-(4-methylphenyl)-N'-[[(4-methylphenyl)amino]thioxomethyl]- [ACD/Index Name]
N-(4-Methylphenyl)-N'-[(4-methylphenyl)carbamothioyl]benzenecarboximidamide [ACD/IUPAC Name]
N-(4-Méthylphényl)-N'-[(4-méthylphényl)carbamothioyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
N-(4-Methylphenyl)-N'-[(4-methylphenyl)carbamothioyl]benzolcarboximidamid [German] [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: 502.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±30.9 °C
Index of Refraction: 1.615
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 1938.57
ACD/KOC (pH 5.5): 5823.61
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5393.76
ACD/KOC (pH 7.4): 16203.24
Polar Surface Area: 69 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 322.2±7.0 cm3

Click to predict properties on the Chemicalize site


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