(E)-2-Chloro-3-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate
[CAS# 77602-69-8]

Identification

• Name: (E)-2-Chloro-3-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate
• Synonyms: But-2-Enedioic Acid; (9E)-2-Chloro-9-(3-Dimethylaminopropylidene)-3-Thioxanthenol; (E)-2-Chloro-3-Hydroxy-9-(3-Dimethylaminopropylidene)Thioxanthene Hydrogen Maleate; (E)-3-Hydroxychlorprothixene Hydrogen Maleate
• Molecular Formula: C₂₂H₂₂ClNO₅S
• Molecular Weight: 447.93
• CAS Registry Number: 77602-69-8
• SMILES: C1=C(Cl)C(=CC2=C1\C(C3=C(S2)C=CC=C3)=C\CCN(C)C)O.O=C(O)\C=C/C(=O)O
• InChI: 1S/C18H18ClNOS.C4H4O4/c1-20(2)9-5-7-12-13-6-3-4-8-17(13)22-18-11-16(21)15(19)10-14(12)18;5-3(6)1-2-4(7)8/h3-4,6-8,10-11,21H,5,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b12-7+;2-1-
• InChIKey: SOAOYLHIAWNDRO-LTLNIHEKSA-N

Properties

• Boiling point: 467.8°C at 760 mmHg (Cal.)
• Flash point: 236.7°C (Cal.)