4-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-Piperazinepropanol
[CAS# 29604-16-8]

Identification

• Name: 4-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-Piperazinepropanol
• Synonyms: 3-[4-[8-(Methylthio)-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl]-1-Piperazinyl]Propan-1-Ol; 3-[4-[8-(Methylthio)-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl]Piperazin-1-Yl]Propan-1-Ol; 4-(10,11-Dihydro-8-(Methylthio)Dibenzo(B,F)Thiepin-10-Yl)-1-Piperazinepropanol
• Molecular Formula: C₂₂H₂₈N₂OS₂
• Molecular Weight: 400.60
• CAS Registry Number: 29604-16-8
• SMILES: C1=C(SC)C=CC4=C1C(N2CCN(CCCO)CC2)CC3=C(C=CC=C3)S4
• InChI: 1S/C22H28N2OS2/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25/h2-3,5-8,16,20,25H,4,9-15H2,1H3
• InChIKey: HQOCWPHRUQRXEC-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 542.665°C at 760 mmHg (Cal.)
• Flash point: 281.994°C (Cal.)