{5-[1,3-Dimethyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}(phenyl)acetic acid
[CAS# 84696-96-8]

Identification

• Name: {5-[1,3-Dimethyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}(phenyl)acetic acid
• Synonyms: 5-[1,3-dihydro-1,3-dimethyl-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-4-oxo-α-phenyl-2-thioxothiazolidin-3-acetic acid
• Molecular Formula: C₂₁H₁₆F₃N₃O₃S₂
• Molecular Weight: 479.50
• CAS Registry Number: 84696-96-8
• EINECS: 283-704-2
• SMILES: O=C(O)C(N1C(=O)C(SC1=S)=C3N(C)c2ccc(cc2N3C)C(F)(F)F)c4ccccc4
• InChI: 1S/C21H16F3N3O3S2/c1-25-13-9-8-12(21(22,23)24)10-14(13)26(2)17(25)16-18(28)27(20(31)32-16)15(19(29)30)11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,29,30)
• InChIKey: TXKRNJGBKZJYCQ-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 532.271°C at 760 mmHg (Cal.)
• Flash point: 275.708°C (Cal.)