3-Ethyl-11-(4-Methylpiperazino)-10,11-Dihydrodibenzo(b,f)Thiepin Methanesulfonate Hemihydrate
[CAS# 84964-85-2]

Identification

• Name: 3-Ethyl-11-(4-Methylpiperazino)-10,11-Dihydrodibenzo(b,f)Thiepin Methanesulfonate Hemihydrate
• Synonyms: 1-(9-Ethyl-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-4-Methyl-Piperazine; Methanesulfonic Acid; 3-Ethyl-11-(4-Methylpiperazino)-10,11-Dihydrodibenzo(B,F)Thiepin Methanesulfonate Hemihydrate; Piperazine, 1-(10,11-Dihydro-7-Ethyldibenzo(B,F)Thiepin-10-Yl)-4-Methyl-, Monomethanesulfonate, Hydrate (2:2:1)
• Molecular Formula: C₂₂H₃₀N₂O₃S₂
• Molecular Weight: 434.61
• CAS Registry Number: 84964-85-2
• SMILES: C4=C3C(N1CCN(CC1)C)CC2=CC=CC=C2SC3=CC(=C4)CC.C[S](=O)(=O)O
• InChI: 1S/C21H26N2S.CH4O3S/c1-3-16-8-9-18-19(23-12-10-22(2)11-13-23)15-17-6-4-5-7-20(17)24-21(18)14-16;1-5(2,3)4/h4-9,14,19H,3,10-13,15H2,1-2H3;1H3,(H,2,3,4)
• InChIKey: KKYISJVUDYLOIL-UHFFFAOYSA-N

Properties

• Boiling point: 446.3°C at 760 mmHg (Cal.)
• Flash point: 223.7°C (Cal.)