2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium [5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
[CAS# 75069-22-6]

Identification

• Name: 2-Hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium [5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
• Synonyms: tris(2-hydroxyethyl)ammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate
• Molecular Formula: C₂₀H₂₇N₃O₆S₃
• Molecular Weight: 501.64
• CAS Registry Number: 75069-22-6
• EINECS: 278-066-7
• SMILES: OCC[NH+](CCO)CCO.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC
• InChI: 1S/C14H12N2O3S3.C6H15NO3/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11;8-4-1-7(2-5-9)3-6-10/h3-6H,2,7H2,1H3,(H,17,18);8-10H,1-6H2
• InChIKey: SBQFVYQVMFWNBI-UHFFFAOYSA-N

Properties

• Boiling point: 667.7°C at 760 mmHg (Cal.)
• Flash point: 357.6°C (Cal.)