Chemical Properties of Thiothixene (CAS 5591-45-7)

Thiothixene

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InChI
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
InChI Key
GFBKORZTTCHDGY-UWVJOHFNSA-N
Formula
C23H29N3O2S2
SMILES
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
Molecular Weight1
443.62
CAS
5591-45-7
Other Names
  • 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-
  • P-4657-B
  • Cp-12,252-1
  • CP 12252-1
  • CP-12,252-1 base
  • N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thiaxanthene-2-sulfonamide
  • Navan
  • Navane
  • Navaron
  • Orbinamon
  • Thiothixine
  • Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-
  • Tiotixene
  • 2-(Dimethylsulfamoyl)-(9-(4-methyl-1-piperazinyl)propylidene)thioxanthene
  • NSC-108165
  • N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulphonamide
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Physical Properties

Property Value Unit Source
log10WS -4.31 Crippen Calculated Property
logPoct/wat 3.471 Crippen Calculated Property
McVol 335.770 ml/mol McGowan Calculated Property

Similar Compounds

Zuclopenthixol. Clopenthixol M (N-oxide). Benazepril Me. Hydroxy-N-methylcytisine. Glyceollin III, TMS. Glyceollin V, TMS. ethyl eburnamenine-14-carboxylate. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. Nalmefene, trimethylsilyl ether. Codeine-propionyl. Methyldesorphine. Ajmaline. Galantamin. 3-propionyl-morphine.

Find more compounds similar to Thiothixene.

Sources

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