N,N-Diethylethanaminium 3-[(4E)-4-[(2E,4Z)-4-(3-Ethyl-4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)-2-Buten-1-Ylidene]-1(4H)-Quinolinyl]-1-Propanesulfonate
[CAS# 63560-88-3]

Identification

• Name: N,N-Diethylethanaminium 3-[(4E)-4-[(2E,4Z)-4-(3-Ethyl-4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)-2-Buten-1-Ylidene]-1(4H)-Quinolinyl]-1-Propanesulfonate
• Synonyms: 1(4H)-Quinolinepropanesulfonic acid, 4-[4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene]-, compd. with N,N-diethylethanamine (1:1) (9CI); ; Ethanamine, N,N-diethyl-, 4-[4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene]-1(4H)-quinolinepropanesulfonate; N,N-diethyl-1-ethanaminium 3-[4-[(E,2E)-4-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-butenylidene]-1(4H)-quinolinyl]-1-propanesulfonate
• Molecular Formula: C₂₇H₃₇N₃O₄S₃
• Molecular Weight: 563.80
• CAS Registry Number: 63560-88-3
• SMILES: CCN1C(=O)C(=CC=CC=C2C=CN(c3c2cccc3)CCCS(=O)(=O)[O-])SC1=S.CC[NH+](CC)CC
• InChI: 1S/C21H22N2O4S3.C6H15N/c1-2-23-20(24)19(29-21(23)28)11-6-3-8-16-12-14-22(13-7-15-30(25,26)27)18-10-5-4-9-17(16)18;1-4-7(5-2)6-3/h3-6,8-12,14H,2,7,13,15H2,1H3,(H,25,26,27);4-6H2,1-3H3/b6-3+,16-8+,19-11-
• InChIKey: CECXBICHZWUJIE-DYHKCSEOSA-N

Properties

• Boiling point: 686.6°C at 760 mmHg (Cal.)
• Flash point: 369°C (Cal.)