5-[(3-Benzylbenzoxazol-2(3H)-Ylidene)Ethylidene]-4-Oxo-2-Thioxothiazolidin-3-Acetic Acid
[CAS# 63815-90-7]

Identification

• Name: 5-[(3-Benzylbenzoxazol-2(3H)-Ylidene)Ethylidene]-4-Oxo-2-Thioxothiazolidin-3-Acetic Acid
• Synonyms: 2-[4-Oxo-5-[2-[3-(Phenylmethyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-2-Thioxo-Thiazolidin-3-Yl]Acetic Acid; 2-[4-Oxo-5-[2-[3-(Phenylmethyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-2-Thioxo-3-Thiazolidinyl]Acetic Acid; 2-[5-[2-[3-(Benzyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-4-Keto-2-Thioxo-Thiazolidin-3-Yl]Acetic Acid
• Molecular Formula: C₂₁H₁₆N₂O₄S₂
• Molecular Weight: 424.49
• CAS Registry Number: 63815-90-7
• EINECS: 264-481-0
• SMILES: C1=CC=CC3=C1O\C(=C/C=C/2SC(=S)N(C2=O)CC(=O)O)N3CC4=CC=CC=C4
• InChI: 1S/C21H16N2O4S2/c24-19(25)13-23-20(26)17(29-21(23)28)10-11-18-22(12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)27-18/h1-11H,12-13H2,(H,24,25)/b17-10-,18-11-
• InChIKey: DQAIDCLYYZYFRB-IWSCKCOWSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 563.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 294.4±32.9°C (Cal.)