1-Isonicotinoyl-4-(2-Tolyl)Thiosemicarbazide

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Properties Simple | Detailed

Formula C14H14N4OS
IUPAC Name 1-(o-tolyl)-3-(pyridine-4-carbonylamino)thiourea
Molecular Mass 286.352 g·mol−1
Heat of Formation 223.4 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 341.32 Å 3
Surface Area 300.72 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-methylphenyl)-3-(pyridin-4-ylcarbonylamino)thiourea
  • 1-(2-methylphenyl)-3-[[oxo-(4-pyridyl)methyl]amino]thiourea
  • 1-isonicotinoyl-4-(ortho-tolyl)thiosemicarbazide
  • 1-ittsc
CAS Number(s)
  • 74270-70-5
InChIKey DUCBLVDTLSAVMM-UHFFFAOYSA-N
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