(1Z)-N'-[(4-Cyanophenyl)Carbamothioyl]-2-(2,6-Dichlorophenyl)Ethanimidamide

Molecule SVG Image

Properties Simple | Detailed

Formula C16H12Cl2N4S
IUPAC Name 1-(4-cyanophenyl)-3-[2-(2,6-dichlorophenyl)ethanimidoyl]thiourea
Molecular Mass 363.264 g·mol−1
Heat of Formation 371.7 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 397.25 Å 3
Surface Area 330.64 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1e)-1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-(4-cyanophenyl)thiourea
  • 1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea
  • benzeneethanimidamide, 2,6-dichloro-n'-[[(4-cyanophenyl)amino]thioxomethyl]-
  • iet
  • r100943
  • thiourea, n-(4-cyanophenyl)-n'-[2-(2,6-dichlorophenyl)-1-iminoethyl]-
InChIKey NWKJBFSBEAMDBE-UHFFFAOYSA-N
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Elements H C N S Cl