(6E)-6-({[4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2,4-cyclohexadien-1-one
[CAS# 86758-97-6]

Identification

• Name: (6E)-6-({[4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2,4-cyclohexadien-1-one
• Synonyms: 2-(((4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)phenol; Phenol, 2-(((4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-; BRN 4602148
• Molecular Formula: C₂₅H₂₄ClN₃OS
• Molecular Weight: 450.00
• CAS Registry Number: 86758-97-6
• SMILES: O=C1/C=C\C=C/C1=C\NN5CCN(C3c4c(Sc2ccc(Cl)cc2C3)cccc4)CC5
• InChI: 1S/C25H24ClN3OS/c26-20-9-10-24-19(15-20)16-22(21-6-2-4-8-25(21)31-24)28-11-13-29(14-12-28)27-17-18-5-1-3-7-23(18)30/h1-10,15,17,22,27H,11-14,16H2/b18-17+
• InChIKey: RSSQBGBFWGOPCR-ISLYRVAYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 577.822°C at 760 mmHg (Cal.)
• Flash point: 303.256°C (Cal.)