Nuclotixene
[CAS# 36471-39-3]

Identification

• Name: Nuclotixene
• Synonyms: 8-[(E)-(2-Chlorothioxanthen-9-Ylidene)Methyl]-1-Azabicyclo[2.2.2]Octane; 3-[(E)-(2-Chlorothioxanthen-9-Ylidene)Methyl]Quinuclidine; 3-[(2-Chlorothioxanthen-9-Ylidene)Methyl]Quinuclidine
• Molecular Formula: C₂₁H₂₀ClNS
• Molecular Weight: 353.91
• CAS Registry Number: 36471-39-3
• SMILES: C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C\C4C5CCN(C4)CC5
• InChI: 1S/C21H20ClNS/c22-16-5-6-21-19(12-16)18(17-3-1-2-4-20(17)24-21)11-15-13-23-9-7-14(15)8-10-23/h1-6,11-12,14-15H,7-10,13H2/b18-11+
• InChIKey: FCXKKBQJIUTOHH-WOJGMQOQSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 495.052°C at 760 mmHg (Cal.)
• Flash point: 253.198°C (Cal.)