5-[(3-Ethylnaphth[2,1-d]Oxazol-2(3H)-Ylidene)Ethylidene]-3-Heptyl-1-Phenyl-2-Thioxoimidazolidin-4-One
[CAS# 13242-16-5]

Identification

• Name: 5-[(3-Ethylnaphth[2,1-d]Oxazol-2(3H)-Ylidene)Ethylidene]-3-Heptyl-1-Phenyl-2-Thioxoimidazolidin-4-One
• Synonyms: (5Z)-5-[(2E)-2-(3-Ethylbenzo[G][1,3]Benzoxazol-2-Ylidene)Ethylidene]-3-Heptyl-1-Phenyl-2-Thioxo-Imidazolidin-4-One; (5Z)-5-[(2E)-2-(3-Ethyl-2-Benzo[G][1,3]Benzoxazolylidene)Ethylidene]-3-Heptyl-1-Phenyl-2-Thioxo-4-Imidazolidinone; (5Z)-5-[(2E)-2-(3-Ethylbenzo[G][1,3]Benzoxazol-2-Ylidene)Ethylidene]-3-Heptyl-1-Phenyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₃₁H₃₃N₃O₂S
• Molecular Weight: 511.68
• CAS Registry Number: 13242-16-5
• EINECS: 236-219-5
• SMILES: C2=C1N(C(\OC1=C3C(=C2)C=CC=C3)=C/C=C/4N(C(=S)N(C4=O)CCCCCCC)C5=CC=CC=C5)CC
• InChI: 1S/C31H33N3O2S/c1-3-5-6-7-13-22-33-30(35)27(34(31(33)37)24-15-9-8-10-16-24)20-21-28-32(4-2)26-19-18-23-14-11-12-17-25(23)29(26)36-28/h8-12,14-21H,3-7,13,22H2,1-2H3/b27-20-,28-21+
• InChIKey: OZCLZZYQFDQMOF-LKZLBIQXSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 585.228°C at 760 mmHg (Cal.)
• Flash point: 307.735°C (Cal.)