3-{4-[3-(2-Chloro-9H-Thioxanthen-9-Yl)Propyl]-1-Piperazinyl}-1-Propanol
[CAS# 14008-71-0]

Identification

• Name: 3-{4-[3-(2-Chloro-9H-Thioxanthen-9-Yl)Propyl]-1-Piperazinyl}-1-Propanol
• Synonyms: 2-Chloro-10-[3-[1-(3-hydroxypropyl)-4-piperazinyl]propyl]thiaxanth ene dihydrochloride; Xanthiol
• Molecular Formula: C₂₃H₂₉ClN₂OS
• Molecular Weight: 417.01
• CAS Registry Number: 14008-71-0
• SMILES: C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO
• InChI: 1S/C23H29ClN2OS/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2
• InChIKey: VQLAZPRVCPICCQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 557.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 290.9±30.1°C (Cal.)
• Refractive index: 1.606 (Cal.)