2-(4-Isothiocyanatobenzyl)-4,5-Dihydro-1H-Imidazole

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Properties Simple | Detailed

Formula C11H11N3S
IUPAC Name 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1h-imidazole
Molecular Mass 217.290 g·mol−1
Heat of Formation 322.2 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 263.87 Å 3
Surface Area 253.92 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole, 4,5-dihydro-2-((4-isothiocyanatophenyl)methyl)-
  • 2-(4'-isothiocyanatobenzyl)imidazoline
  • 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1h-imidazole
  • 2-ibi
  • 4,5-dihydro-2-((4-isothiocyanatophenyl)methyl)-1h-imidazole
CAS Number(s)
  • 130262-94-1
InChIKey RUXDSTKVMLGBTO-UHFFFAOYSA-N
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