2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethyl (9Z)-9-octadecenoate
[CAS# 85721-06-8]

Identification

• Name: 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethyl (9Z)-9-octadecenoate
• Synonyms: (Z)-2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethyl oleate
• Molecular Formula: C₄₁H₅₇F₃N₂O₂S
• Molecular Weight: 698.96
• CAS Registry Number: 85721-06-8
• EINECS: 288-416-0
• SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OCCN1CCN(CC1)CC\C=C2\c4ccccc4Sc3ccc(cc23)C(F)(F)F
• InChI: 1S/C41H57F3N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-40(47)48-32-31-46-29-27-45(28-30-46)26-19-21-35-36-20-17-18-22-38(36)49-39-25-24-34(33-37(35)39)41(42,43)44/h9-10,17-18,20-22,24-25,33H,2-8,11-16,19,23,26-32H2,1H3/b10-9-,35-21-
• InChIKey: BUTJICYIIWGDPL-DNRMARSOSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 728.498°C at 760 mmHg (Cal.)
• Flash point: 394.382°C (Cal.)