1-Carboxymethyl-3-Phenyl-5-(2-(3-Ethyl-2-Benzoxazolinylidene)-Ethylidene)-Thiohydantoin
[CAS# 13350-41-9]

Identification

• Name: 1-Carboxymethyl-3-Phenyl-5-(2-(3-Ethyl-2-Benzoxazolinylidene)-Ethylidene)-Thiohydantoin
• Synonyms: 2-[(5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-4-Oxo-3-Phenyl-2-Thioxo-Imidazolidin-1-Yl]Acetic Acid; 2-[(5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-4-Oxo-3-Phenyl-2-Thioxo-1-Imidazolidinyl]Acetic Acid; 2-[(5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-4-Keto-3-Phenyl-2-Thioxo-Imidazolidin-1-Yl]Acetic Acid
• Molecular Formula: C₂₂H₁₉N₃O₄S
• Molecular Weight: 421.47
• CAS Registry Number: 13350-41-9
• EINECS: 236-399-5
• SMILES: C4=C(N1C(N(CC(O)=O)C(/C1=O)=C\C=C/2N(C3=C(O2)C=CC=C3)CC)=S)C=CC=C4
• InChI: 1S/C22H19N3O4S/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27/h3-13H,2,14H2,1H3,(H,26,27)/b17-12-,19-13-
• InChIKey: MTTSAJTTXKHHJZ-JOSACAGISA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 531.703°C at 760 mmHg (Cal.)
• Flash point: 275.364°C (Cal.)