3-Ethyl-9-(3-Dimethylaminopropylidene)Thioxanthene Hydrogen Fumarate
[CAS# 84964-72-7]

Identification

• Name: 3-Ethyl-9-(3-Dimethylaminopropylidene)Thioxanthene Hydrogen Fumarate
• Synonyms: But-2-Enedioic Acid; (3E)-3-(3-Ethylthioxanthen-9-Ylidene)-N,N-Dimethyl-Propan-1-Amine; But-2-Enedioic Acid; (3E)-3-(3-Ethyl-9-Thioxanthenylidene)-N,N-Dimethylpropan-1-Amine; But-2-Enedioic Acid; [(3E)-3-(3-Ethylthioxanthen-9-Ylidene)Propyl]-Dimethyl-Amine
• Molecular Formula: C₂₄H₂₇NO₄S
• Molecular Weight: 425.54
• CAS Registry Number: 84964-72-7
• SMILES: C1=CC(=CC2=C1\C(C3=C(S2)C=CC=C3)=C\CCN(C)C)CC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H23NS.C4H4O4/c1-4-15-11-12-18-16(9-7-13-21(2)3)17-8-5-6-10-19(17)22-20(18)14-15;5-3(6)1-2-4(7)8/h5-6,8-12,14H,4,7,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b16-9+;2-1+
• InChIKey: HJMMBPJBADWZEV-VHYFPUBTSA-N

Properties

• Boiling point: 428.5°C at 760 mmHg (Cal.)
• Flash point: 212.9°C (Cal.)