(4E)-4-({[4-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2-ethoxy-2,5-cyclohexadien-1-one
[CAS# 86759-00-4]

Identification

• Name: (4E)-4-({[4-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2-ethoxy-2,5-cyclohexadien-1-one
• Synonyms: 4-(((4-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-2-ethoxyphenol; Phenol, 4-(((4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-2-ethoxy-
• Molecular Formula: C₂₇H₂₉N₃O₂S
• Molecular Weight: 459.60
• CAS Registry Number: 86759-00-4
• SMILES: O=C1\C=C/C(/C=C1/OCC)=C\NN5CCN(C3c4c(Sc2ccccc2C3)cccc4)CC5
• InChI: 1S/C27H29N3O2S/c1-2-32-25-17-20(11-12-24(25)31)19-28-30-15-13-29(14-16-30)23-18-21-7-3-5-9-26(21)33-27-10-6-4-8-22(23)27/h3-12,17,19,23,28H,2,13-16,18H2,1H3/b20-19+
• InChIKey: DEJRWJUAHYDPEX-FMQUCBEESA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 593.217°C at 760 mmHg (Cal.)
• Flash point: 312.567°C (Cal.)