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

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

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Thiothixene.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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