2-{4-[(3E)-3-(2-Chloro-9H-Thioxanthen-9-Ylidene)Propyl]-1-Piperazinyl}Ethanol

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Properties Simple | Detailed

Formula C22H25ClN2OS
IUPAC Name 2-[4-[(3e)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Molecular Mass 400.965 g·mol−1
Heat of Formation 49.7 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 471.86 Å 3
Surface Area 417.9 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(3-(2-chloro-10h-thioxanthen-10-ylidene)propyl)-1-piperazineethanol
  • 1-piperazineethanol, 4-(3-(2-chloro-10h-thioxanthen-10-ylidene)propyl)-, (e)-
  • 1-piperazineethanol, 4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-
  • 1-piperazineethanol, 4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-
  • 1-piperazineethanol, 4-[(3e)-3-(2-chloro-9h-thioxanthen-9-ylidene)propyl]-
  • 1-piperazineethanol, 4-[3-(2-chloro-9h-thioxanthen-9-ylidene)propyl]-, (z)-
  • 2-[4-[(3e)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol
  • 2-[4-[(3e)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
  • 2-[4-[3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol
  • 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
  • 4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • 4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • chlorpenthixol
  • pdsp1_001123
  • pdsp2_001107
  • trans(e)-clopenthixol
CAS Number(s)
  • 53772-84-2
  • 982-24-1
InChIKey WFPIAZLQTJBIFN-BLLMUTORSA-N
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