1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2)
[CAS# 67729-52-6]

Identification

• Name: 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2)
• Synonyms: But-2-Enedioic Acid; 1-[1-(5-Chloro-2-Phenylsulfanyl-Phenyl)Ethyl]-4-Methyl-Piperazine; But-2-Enedioic Acid; 1-[1-[5-Chloro-2-(Phenylthio)Phenyl]Ethyl]-4-Methylpiperazine; But-2-Enedioic Acid; 1-[1-[5-Chloro-2-(Phenylthio)Phenyl]Ethyl]-4-Methyl-Piperazine
• Molecular Formula: C₂₇H₃₁ClN₂O₈S
• Molecular Weight: 579.06
• CAS Registry Number: 67729-52-6
• SMILES: C1=C(C(=CC=C1Cl)SC2=CC=CC=C2)C(N3CCN(CC3)C)C.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H23ClN2S.2C4H4O4/c1-15(22-12-10-21(2)11-13-22)18-14-16(20)8-9-19(18)23-17-6-4-3-5-7-17;2*5-3(6)1-2-4(7)8/h3-9,14-15H,10-13H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: SQLCSOADQRCPHF-LVEZLNDCSA-N

Properties

• Boiling point: 435.8°C at 760 mmHg (Cal.)
• Flash point: 217.4°C (Cal.)