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Predicted properties of the compound entered.

ID GFBKORZTTCHDGY-UFWORHAWSA-N
Formula C23H29N3O2S2
IUPAC Name (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) 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+
Standard InChIKey (User Input) InChIKey=GFBKORZTTCHDGY-UFWORHAWSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide | N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide | (9E)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide | N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide | 5591-45-7 | KBioSS_001548 | Spectrum_001068 | 2-(Dimethylsulfamoyl)-(9-(4-methyl-1-piperazinyl)propylidene)thioxanthene | 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)- | CP-12,252-1 | CP-12,252-1 base | EINECS 227-001-0 | HSDB 3402 | N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide | N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulphonamide | NSC 108165 | Navane | Navaron | Orbinamon | P 4657B | P-4657 B | P-4657-B | THIOTHIXENE | Thiothixene (base) | Thiothixene [USAN:BAN] | Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)- | Tiotixene | KBio2_001548 | PDSP1_000169 | KBio2_004116 | Spectrum2_001333 | KBio2_006684 | PDSP2_000168 | Lopac-T-0780 | NCGC00015998-01 | KBio3_001522 | IDI1_000335 | T4937_SIAL | PDSP1_000550 | Oprea1_774264 | SPECTRUM1500576 | BSPBio_002022 | NCGC00094793-01 | NCGC00094793-02 | NCGC00094793-04 | SPBio_001485 | Spectrum5_001150 | (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide | KBio1_000335 | 2-(Dimethylsulfamoyl)-[9-(4-methyl-1-piperazinyl)propylidene]thioxanthene | 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]- | 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (Z)- | N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thiaxanthene-2-sulfonamide | NSC108165 | Navan | Thiothixine | Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]- | WLN: T C666 BS IYJ FSWN1&1 IU3- AT6N DNTJ D1 | ST060258 | PDSP2_000548 | DivK1c_000335 | NINDS_000335 | Spectrum3_000581
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
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Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
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Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -