1-(10,11-Dihydro-8-(Methylsulfonyl)Dibenzo(b,f)Thiepin-10-Yl)-4-Methyl Piperazine
[CAS# 16185-12-9]

Identification

• Name: 1-(10,11-Dihydro-8-(Methylsulfonyl)Dibenzo(b,f)Thiepin-10-Yl)-4-Methyl Piperazine
• Synonyms: 1-(8-Mesyl-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-4-Methyl-Piperazine; 1-(10,11-Dihydro-8-(Methylsulfonyl)Dibenzo(B,F)Thiepin-10-Yl)-4-Methylpiperazine; Brn 0580005
• Molecular Formula: C₂₀H₂₄N₂O₂S₂
• Molecular Weight: 388.54
• CAS Registry Number: 16185-12-9
• SMILES: C3=C2C(N1CCN(CC1)C)CC4=C(SC2=CC=C3[S](=O)(=O)C)C=CC=C4
• InChI: 1S/C20H24N2O2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)25-20-8-7-16(14-17(18)20)26(2,23)24/h3-8,14,18H,9-13H2,1-2H3
• InChIKey: HCROLNHTLUQIOD-UHFFFAOYSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 535.788°C at 760 mmHg (Cal.)
• Flash point: 277.835°C (Cal.)