6-Chloro-3-(4-methyl-1-piperazinyl)dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine methanesulfonate (1:2)
[CAS# 87245-48-5]

Identification

• Name: 6-Chloro-3-(4-methyl-1-piperazinyl)dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine methanesulfonate (1:2)
• Synonyms: Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine, 6-chloro-3-(4-methyl-1-piperazinyl)-, dimethanesulfonate
• Molecular Formula: C₂₁H₂₆ClN₅O₆S₃
• Molecular Weight: 576.11
• CAS Registry Number: 87245-48-5
• SMILES: O=S(=O)(O)C.O=S(=O)(O)C.Clc4cc3n1c(nnc1N2CCN(C)CC2)c5ccccc5Sc3cc4
• InChI: 1S/C19H18ClN5S.2CH4O3S/c1-23-8-10-24(11-9-23)19-22-21-18-14-4-2-3-5-16(14)26-17-7-6-13(20)12-15(17)25(18)19;2*1-5(2,3)4/h2-7,12H,8-11H2,1H3;2*1H3,(H,2,3,4)
• InChIKey: RTZFJFGKYVAGJT-UHFFFAOYSA-N

Properties

• Boiling point: 607°C at 760 mmHg (Cal.)
• Flash point: 320.9°C (Cal.)