2-[(S)-{[3-Methyl-4-(2,2,2-Trifluoroethoxy)-2-Pyridinyl]Methyl}Sulfinyl]-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H14F3N3O2S
IUPAC Name 2-[(s)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]benzimidazol-1-ium-2-ylium
Molecular Mass 369.361 g·mol−1
Heat of Formation -640.4 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 392.73 Å 3
Surface Area 349.6 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(s)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1h-benzimidazole
  • 2-[(s)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1h-benzimidazole
CAS Number(s)
  • 138530-95-7
InChIKey MJIHNNLFOKEZEW-VWLOTQADSA-N
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