2-[4-[3-(2-Chloro-9H-Thioxanthen-9-Ylidene)Propyl]Piperazinyl] Decanoate
[CAS# 55501-05-8]

Identification

• Name: 2-[4-[3-(2-Chloro-9H-Thioxanthen-9-Ylidene)Propyl]Piperazinyl] Decanoate
• Synonyms: Decanoic Acid 2-[4-[(3E)-3-(2-Chloro-9-Thioxanthenylidene)Propyl]-1-Piperazinyl]Ethyl Ester; Capric Acid 2-[4-[(3E)-3-(2-Chlorothioxanthen-9-Ylidene)Propyl]Piperazin-1-Yl]Ethyl Ester
• Molecular Formula: C₃₂H₄₃ClN₂O₂S
• Molecular Weight: 555.22
• CAS Registry Number: 55501-05-8
• EINECS: 259-675-7
• SMILES: C1=CC=CC3=C1\C(=C/CCN2CCN(CCOC(CCCCCCCCC)=O)CC2)C4=C(S3)C=CC(=C4)Cl
• InChI: 1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+
• InChIKey: QRUAPADZILXULG-UVHMKAGCSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 662.693°C at 760 mmHg (Cal.)
• Flash point: 354.584°C (Cal.)