Xanthiol
[CAS# 17162-32-2]

Identification

• Name: Xanthiol
• Synonyms: 3-[4-[3-(2-Chloro-9H-Thioxanthen-9-Yl)Propyl]-1-Piperazinyl]Propan-1-Ol Dihydrochloride; 1-Piperazinepropanol, 4-(3-(2-Chloro-9H-Thioxanthen-9-Yl)Propyl)-, Dihydrochloride; 1-Piperazinepropanol, 4-(3-(2-Chlorothioxanthen-9-Yl)Propyl)-, Dihydrochloride (8Ci)
• Molecular Formula: C₂₃H₃₁Cl₃N₂OS
• Molecular Weight: 489.93
• CAS Registry Number: 17162-32-2
• SMILES: [H+].[H+].C1=C(Cl)C=CC4=C1C(CCCN2CCN(CC2)CCCO)C3=CC=CC=C3S4.[Cl-].[Cl-]
• InChI: 1S/C23H29ClN2OS.2ClH/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;2*1H
• InChIKey: WCSMSWYAHBNGDC-UHFFFAOYSA-N

Properties

• Boiling point: 557.3°C at 760 mmHg (Cal.)
• Flash point: 290.9°C (Cal.)