ChemSpider 2D Image | 1-{2-[(E)-(9-Anthrylmethylene)amino]phenyl}-3-phenylthiourea | C28H21N3S

1-{2-[(E)-(9-Anthrylmethylene)amino]phenyl}-3-phenylthiourea

  • Molecular FormulaC28H21N3S
  • Average mass431.551 Da
  • Monoisotopic mass431.145630 Da
  • ChemSpider ID24739580

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{2-[(E)-(9-Anthrylmethylen)amino]phenyl}-3-phenylthioharnstoff [German] [ACD/IUPAC Name]
1-{2-[(E)-(9-Anthrylmethylene)amino]phenyl}-3-phenylthiourea [ACD/IUPAC Name]
1-{2-[(E)-(9-Anthrylméthylène)amino]phényl}-3-phénylthiourée [French] [ACD/IUPAC Name]
Thiourea, N-[2-[[(1E)-9-anthracenylmethylene]amino]phenyl]-N'-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.9±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.3±32.1 °C
Index of Refraction: 1.668
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46274.00
ACD/KOC (pH 5.5): 75936.95
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46481.76
ACD/KOC (pH 7.4): 76277.88
Polar Surface Area: 69 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 363.2±7.0 cm3

Click to predict properties on the Chemicalize site


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