4-(3-Thioxo-3H-1,2-Dithiol-5-Yl)Phenyl {2-[(2,6-Dichlorophenyl)Amino]Phenyl}Acetate

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Formula C23H15Cl2NO2S3
IUPAC Name [4-(5-thioxodithiol-3-yl)phenyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular Mass 504.472 g·mol−1
Heat of Formation 96.0 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 547.89 Å 3
Surface Area 457.05 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid [4-(5-thioxo-3-dithiolyl)phenyl] ester
  • 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid [4-(5-thioxodithiol-3-yl)phenyl] ester
  • [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoate
  • [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
  • [4-(5-thioxodithiol-3-yl)phenyl] 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
InChIKey BRDUXOHVEZVAHI-UHFFFAOYSA-N
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