1-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-piperazinyl}-2-butanol methanesulfonate (1:1)
[CAS# 86499-12-9]

Identification

• Name: 1-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-piperazinyl}-2-butanol methanesulfonate (1:1)
• Synonyms: 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-α-ethyl-, monomethanesulfonate
• Molecular Formula: C₂₄H₃₄N₂O₄S₃
• Molecular Weight: 510.73
• CAS Registry Number: 86499-12-9
• SMILES: O=S(=O)(O)C.OC(CC)CN4CCN(C2c3c(Sc1ccccc1C2)ccc(SC)c3)CC4
• InChI: 1S/C23H30N2OS2.CH4O3S/c1-3-18(26)16-24-10-12-25(13-11-24)21-14-17-6-4-5-7-22(17)28-23-9-8-19(27-2)15-20(21)23;1-5(2,3)4/h4-9,15,18,21,26H,3,10-14,16H2,1-2H3;1H3,(H,2,3,4)
• InChIKey: PFCCCRDDVVAFHF-UHFFFAOYSA-N

Properties

• Boiling point: 542.4°C at 760 mmHg (Cal.)
• Flash point: 281.8°C (Cal.)