2-Trifluoromethyl-9-(3-(4-(2-Hydroxyethyl)Piperazin-1-Yl)Propylidene)Thioxanthene

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Properties Simple | Detailed

Formula C23H25F3N2OS
IUPAC Name 2-[4-[(3e)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular Mass 434.518 g·mol−1
Heat of Formation -584.2 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 497.38 Å 3
Surface Area 433.34 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • (e)-4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol
  • (e)-flupenthixol
  • 1-piperazineethanol, 4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-, (e)-
  • 1-piperazineethanol, 4-[(3e)-3-[2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl]-
  • 2-[4-[(3e)-3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol
  • 2-[4-[(3e)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
  • 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol
  • 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
  • beta-flupenthixol
  • pdsp1_001542
  • pdsp1_001543
  • pdsp2_001526
  • pdsp2_001527
  • trans(e)flupenthixol
  • trans-(e)-flupentixol
  • trans-flupentixol
CAS Number(s)
  • 53772-85-3
InChIKey NJMYODHXAKYRHW-BLLMUTORSA-N
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