{5-[(4-Nitrophenyl)Amino]-2-Biphenylyl}Carbamothioic S-Acid

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Properties Simple | Detailed

Formula C19H15N3O3S
IUPAC Name [4-(4-nitroanilino)-2-phenyl-phenyl]carbamothioic s-acid
Molecular Mass 365.406 g·mol−1
Heat of Formation 107.5 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 414.68 Å 3
Surface Area 368.07 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[(4-nitrophenyl)amino]-2-phenyl-phenyl]amino]methanethioic s-acid
  • [[4-[(4-nitrophenyl)amino]-2-phenyl-phenyl]amino]thioformic acid
  • [[4-[(4-nitrophenyl)amino]-2-phenylphenyl]amino]methanethioic s-acid
  • carbamothioic acid, (4-((4-nitrophenyl)amino)phenyl)-, o-phenyl ester
  • phenithionate
  • phenyl-4-nitrodiphenylamine-4'-thiocarbamate
CAS Number(s)
  • 83538-74-3
InChIKey IEACVJXGZMTIIW-UHFFFAOYSA-N
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