cis-Thiothixene
[CAS# 5591-45-7]

Identification

• Name: cis-Thiothixene
• Synonyms: 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
• Molecular Formula: C₂₃H₂₉N₃O₂S₂
• Molecular Weight: 443.62
• CAS Registry Number: 5591-45-7
• EINECS: 227-001-0
• SMILES: C1=C([S](N(C)C)(=O)=O)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C\CCN4CCN(C)CC4
• 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-UFWORHAWSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 598.996°C at 760 mmHg (Cal.)
• Flash point: 316.062°C (Cal.)