2-{[4-(Phenylsulfanyl)Phenyl]Amino}Nicotinic Acid

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Formula C18H14N2O2S
IUPAC Name 2-(4-phenylsulfanylanilino)pyridine-3-carboxylic acid
Molecular Mass 322.381 g·mol−1
Heat of Formation -35.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 367.14 Å 3
Surface Area 334.7 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (phenylthio-4-phenylamino)-2-nicotinic acid
  • 2-[(4-phenylsulfanylphenyl)amino]pyridine-3-carboxylic acid
  • 2-[[4-(phenylthio)phenyl]amino]-3-pyridinecarboxylic acid
  • 2-[[4-(phenylthio)phenyl]amino]nicotinic acid
  • 3-pyridinecarboxylic acid, 2-((4-(phenylthio)phenyl)amino)-
  • ptpan
CAS Number(s)
  • 75910-22-4
InChIKey KPERCHWXVOAVGX-UHFFFAOYSA-N
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