ChemSpider 2D Image | N-Phenyl-3-{2-[(phenylcarbamothioyl)amino]ethyl}-1H-indole-1-carbothioamide | C24H22N4S2

N-Phenyl-3-{2-[(phenylcarbamothioyl)amino]ethyl}-1H-indole-1-carbothioamide

  • Molecular FormulaC24H22N4S2
  • Average mass430.588 Da
  • Monoisotopic mass430.128601 Da
  • ChemSpider ID24760671

More details:

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

1H-Indole-1-carbothioamide, N-phenyl-3-[2-[[(phenylamino)thioxomethyl]amino]ethyl]- [ACD/Index Name]
N-Phenyl-3-{2-[(phenylcarbamothioyl)amino]ethyl}-1H-indol-1-carbothioamid [German] [ACD/IUPAC Name]
N-Phenyl-3-{2-[(phenylcarbamothioyl)amino]ethyl}-1H-indole-1-carbothioamide [ACD/IUPAC Name]
N-Phényl-3-{2-[(phénylcarbamothioyl)amino]éthyl}-1H-indole-1-carbothioamide [French] [ACD/IUPAC Name]
(phenylamino)[(2-{1-[(phenylamino)thioxomethyl]indol-3-yl}ethyl)amino]methane-1-thione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3813.75
ACD/KOC (pH 5.5): 12738.70
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3811.25
ACD/KOC (pH 7.4): 12730.32
Polar Surface Area: 105 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 346.9±7.0 cm3

Click to predict properties on the Chemicalize site


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