2-{4-[(3Z)-3-(2-Chloro-9H-Thioxanthen-9-Ylidene)Propyl]-1-Piperazinyl}Ethyl Acetate

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Properties Simple | Detailed

Formula C24H27ClN2O2S
IUPAC Name 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate
Molecular Mass 443.001 g·mol−1
Heat of Formation -151.3 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 522.62 Å 3
Surface Area 460.94 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)piperazine-1-ethyl acetate
  • 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate
  • 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl ethanoate
  • acetic acid 2-[4-[(3z)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethyl ester
  • acetic acid 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl ester
  • clopenthixol acetate ester
CAS Number(s)
  • 85721-05-7
InChIKey OXAUOBQMCDIVPQ-IOXNKQMXSA-N
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