| Identification | Back Directory | [Name]
TRANS-THIOTHIXENE | [CAS]
3313-27-7 | [Synonyms]
(e)-ne)
p-4657a
trans-Tiotixen
(e)-thiothixene
TRANS-THIOTHIXENE
(E)-Thiothixene (100 mg)
(E)-Thiothixene (1666006)
trans-n,n-dimethyl-9-(3-(4-methyl-piperazinyl)propylidene)thioxanthene-2-sul
(9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
(E)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide
9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (9E)- | [Molecular Formula]
C23H29N3O2S2 | [MDL Number]
MFCD00599591 | [MOL File]
3313-27-7.mol | [Molecular Weight]
443.63 |
| Chemical Properties | Back Directory | [Melting point ]
138-142°C | [Boiling point ]
599.0±60.0 °C(Predicted) | [density ]
1.269±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), DMSO (Slightly, Heated), Ethyl Acetate (Slightly) | [form ]
Solid | [pka]
7.62±0.10(Predicted) | [color ]
White to Off-White | [Major Application]
pharmaceutical (small molecule) | [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- | [InChIKey]
GFBKORZTTCHDGY-UWVJOHFNSA-N | [SMILES]
[S](=O)(=O)(N(C)C)c1cc2c(cc1)Sc3c(cccc3)\C\2=C\CCN4CCN(CC4)C |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [HS Code ]
2935904000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
(E)-Thiothixene is an antipsychotic agent used in the treatment of psychological disorders. | [Definition]
ChEBI: N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide is a member of thioxanthenes. |
|
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
| Company Name: |
Whyte Chemicals
|
| Tel: |
+44 (20) 8346-5946 |
| Website: |
www.whytechemicals.co.uk |
|