(6E)-6-({[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2,4-cyclohexadien-1-one
[CAS# 86758-98-7]

Identification

• Name: (6E)-6-({[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]amino}methylene)-2,4-cyclohexadien-1-one
• Synonyms: 2-(((4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)phenol; Phenol, 2-(((4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-; BRN 4596792
• Molecular Formula: C₂₅H₂₄ClN₃OS
• Molecular Weight: 450.00
• CAS Registry Number: 86758-98-7
• SMILES: O=C1/C=C\C=C/C1=C\NN5CCN(C3c4c(Sc2ccccc2C3)ccc(Cl)c4)CC5
• InChI: 1S/C25H24ClN3OS/c26-20-9-10-25-21(16-20)22(15-18-5-2-4-8-24(18)31-25)28-11-13-29(14-12-28)27-17-19-6-1-3-7-23(19)30/h1-10,16-17,22,27H,11-15H2/b19-17+
• InChIKey: RPIGUDDCIASHCF-HTXNQAPBSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 571.286°C at 760 mmHg (Cal.)
• Flash point: 299.303°C (Cal.)