3-Hexadecyl-1-[(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methylamino]Thiourea
[CAS# 7249-94-7]

Identification

• Name: 3-Hexadecyl-1-[(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methylamino]Thiourea
• Synonyms: 1-Cetyl-3-[(4-Keto-1-Cyclohexa-2,5-Dienylidene)Methylamino]Thiourea; Nsc41293
• Molecular Formula: C₂₄H₄₁N₃OS
• Molecular Weight: 419.67
• CAS Registry Number: 7249-94-7
• SMILES: C(CCCCCCCC)CCCCCCCNC(=S)NNC=C1C=CC(=O)C=C1
• InChI: 1S/C24H41N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24(29)27-26-21-22-16-18-23(28)19-17-22/h16-19,21,26H,2-15,20H2,1H3,(H2,25,27,29)
• InChIKey: ZJUIPWQGNWXYFC-UHFFFAOYSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 524.413°C at 760 mmHg (Cal.)
• Flash point: 270.955°C (Cal.)