Thiothixene dihydrochloride dihydrate
[CAS# 22189-31-7]

Identification

• Name: Thiothixene dihydrochloride dihydrate
• Synonyms: (9E)-N,N-Dimethyl-9-[3-(4-Methyl-1-Piperazinyl)Propylidene]-2-Thioxanthenesulfonamide Dihydrate Dihydrochloride; Thiothixene Dihydrochloride Dihydrate; 9H-Thioxanthene-2-Sulfonamide, N,N-Dimethyl-9-(3-(4-Methyl-1-Piperazinyl)Propylidene)-, Dihydrochloride, Dihydrate
• Molecular Formula: C₂₃H₃₅Cl₂N₃O₄S₂
• Molecular Weight: 552.57
• CAS Registry Number: 22189-31-7
• SMILES: [H+].[H+].C(N1CCN(CC1)C)C\C=C2\C4=C(SC3=CC=CC=C23)C=CC(=C4)[S](=O)(=O)N(C)C.[Cl-].[Cl-].O.O
• InChI: 1S/C23H29N3O2S2.2ClH.2H2O/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;2*1H;2*1H2/b19-8+
• InChIKey: MEUAAEMCZUPORO-UWXGDDCVSA-N

Properties

• Boiling point: 599°C at 760 mmHg (Cal.)
• Flash point: 316.1°C (Cal.)