5-(Methylsulfanyl)-N-(3-Pyridinyl)-6-(Trifluoromethyl)-1-Indolinecarboxamide

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Properties Simple | Detailed

Formula C16H14F3N3OS
IUPAC Name 5-methylsulfanyl-n-(3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamide
Molecular Mass 353.362 g·mol−1
Heat of Formation -571.3 ± 16.7 kJ·mol−1
Dipole Moment 10.64 ± 1.08 D
Volume 373.51 Å 3
Surface Area 336.66 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(methylthio)-1-(3-pyridylcarbamoyl)-6-(trifluoromethyl)indoline
  • 5-(methylthio)-n-(3-pyridyl)-6-(trifluoromethyl)-1-indolinecarboxamide
  • 5-(methylthio)-n-(3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamide
  • 5-methylsulfanyl-n-(3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamide
  • sb 221284
  • sb-221284
  • tocris-1379
InChIKey OQZOXHCRSXYSPM-UHFFFAOYSA-N
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