But-2-Enedioic Acid; 2-(6,11-Dihydrobenzo[c][1]Benzothiepin-11-Ylsulfanyl)-1-(4-Methylpiperazin-1-Yl)Ethanone
[CAS# 73150-22-8]

Identification

• Name: But-2-Enedioic Acid; 2-(6,11-Dihydrobenzo[c][1]Benzothiepin-11-Ylsulfanyl)-1-(4-Methylpiperazin-1-Yl)Ethanone
• Synonyms: But-2-Enedioic Acid; 2-(6,11-Dihydrobenzo[C][1]Benzothiepin-11-Ylthio)-1-(4-Methyl-1-Piperazinyl)Ethanone; But-2-Enedioic Acid; 2-(6,11-Dihydrobenzo[C][1]Benzothiepin-11-Ylthio)-1-(4-Methylpiperazin-1-Yl)Ethanone; Piperazine, 1-(((6,11-Dihydrodibenzo(B,E)Thiepin-11-Yl)Thio)Acetyl)-4-Methyl-, (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₂₅H₂₈N₂O₅S₂
• Molecular Weight: 500.63
• CAS Registry Number: 73150-22-8
• SMILES: C4=C3C(SCC(=O)N1CCN(CC1)C)C2=CC=CC=C2CSC3=CC=C4.O=C(O)\C=C\C(=O)O
• InChI: 1S/C21H24N2OS2.C4H4O4/c1-22-10-12-23(13-11-22)20(24)15-26-21-17-7-3-2-6-16(17)14-25-19-9-5-4-8-18(19)21;5-3(6)1-2-4(7)8/h2-9,21H,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: KBUZACUMEDPBJX-WLHGVMLRSA-N

Properties

• Boiling point: 554.5°C at 760 mmHg (Cal.)
• Flash point: 289.1°C (Cal.)