5-[(4-Fluorobenzyl)Sulfanyl]-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C9H8FN3S
IUPAC Name 3-[(4-fluorophenyl)methylsulfanyl]-2h-1,2,4-triazole
Molecular Mass 209.243 g·mol−1
Heat of Formation 112.1 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 233.17 Å 3
Surface Area 226.62 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-fluoro-benzylsulfanyl)-4h-[1,2,4]triazole
  • 3-[(4-fluorobenzyl)thio]-2h-1,2,4-triazole
  • 3-[(4-fluorophenyl)methylthio]-2h-1,2,4-triazole
  • 5-(4-fluoro-benzylsulfanyl)-1h-[1,2,4]triazole
  • af-399/13428734
  • bas 01292742
InChIKey XLRSDRUBTQOPEY-UHFFFAOYSA-N
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Elements H S N C F