5H-Pyrrolo(1,2-A)Imidazole, 6,7-Dihydro-2-(4-(Methylthio)Phenyl)-3-(4-Pyridinyl)-

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Properties Simple | Detailed

Formula C18H17N3S
IUPAC Name 2-(4-methylsulfanylphenyl)-3-(4-pyridyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-4-ium-7a-ylium
Molecular Mass 307.413 g·mol−1
Heat of Formation 375.0 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 368.81 Å 3
Surface Area 325.65 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-methylsulfanylphenyl)-3-(4-pyridyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
  • 2-(4-methylsulfanylphenyl)-3-pyridin-4-yl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
  • 2-(4-methylthiophenyl)-3-(4-pyridyl)-6,7-dihydro[5h]-pyrrolo[1,2-a]imidazole
  • 2-[4-(methylthio)phenyl]-3-(4-pyridyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
  • 6,7-dihydro-2-(4-(methylsulfide)phenyl)-3-(4-pyridyl)-5(1h)-pyrrolo(1,2-a)imidazole
  • sk&f 105561
  • skf-105561
CAS Number(s)
  • 122454-68-6
InChIKey KRMOKGAZOYGDLF-UHFFFAOYSA-N
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