1-[[2-(Diethylamino)Ethyl]Amino]-4-(Hydroxymethyl)-9H-Thioxanthen-9-One 2-Furancarboxylate
[CAS# 50283-78-8]

Identification

• Name: 1-[[2-(Diethylamino)Ethyl]Amino]-4-(Hydroxymethyl)-9H-Thioxanthen-9-One 2-Furancarboxylate
• Synonyms: [1-(2-Diethylaminoethylamino)-9-Oxo-Thioxanthen-4-Yl]Methyl Furan-2-Carboxylate; 2-Furancarboxylic Acid [1-(2-Diethylaminoethylamino)-9-Oxo-4-Thioxanthenyl]Methyl Ester; Furan-2-Carboxylic Acid [1-(2-Diethylaminoethylamino)-9-Keto-Thioxanthen-4-Yl]Methyl Ester
• Molecular Formula: C₂₅H₂₆N₂O₄S
• Molecular Weight: 450.55
• CAS Registry Number: 50283-78-8
• SMILES: C1=C(OC=C1)C(=O)OCC2=CC=C(C3=C2SC4=C(C3=O)C=CC=C4)NCCN(CC)CC
• InChI: 1S/C25H26N2O4S/c1-3-27(4-2)14-13-26-19-12-11-17(16-31-25(29)20-9-7-15-30-20)24-22(19)23(28)18-8-5-6-10-21(18)32-24/h5-12,15,26H,3-4,13-14,16H2,1-2H3
• InChIKey: ACQBSDGZKKDYLW-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 631.244°C at 760 mmHg (Cal.)
• Flash point: 335.565°C (Cal.)