1-[(3-Bromo-4-Methoxyphenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
[CAS# 186453-55-4]

Identification

• Name: 1-[(3-Bromo-4-Methoxyphenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
• Synonyms: 1-[(3-Bromo-4-Methoxy-Phenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea; 1-(3-Bromo-4-Methoxy-Benzyl)-3-[[(E)-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea; Hydrazinecarbothioamide, N-((3-Bromo-4-Methoxyphenyl)Methyl)-2-((2-Hydroxyphenyl)Methylene)-
• Molecular Formula: C₁₆H₁₆BrN₃O₂S
• Molecular Weight: 394.29
• CAS Registry Number: 186453-55-4
• SMILES: C2=C(CNC(=S)NN/C=C1/C(=O)C=CC=C1)C=CC(=C2Br)OC
• InChI: 1S/C16H16BrN3O2S/c1-22-15-7-6-11(8-13(15)17)9-18-16(23)20-19-10-12-4-2-3-5-14(12)21/h2-8,10,19H,9H2,1H3,(H2,18,20,23)/b12-10+
• InChIKey: WPBGCGFJARATNZ-ZRDIBKRKSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 521.981°C at 760 mmHg (Cal.)
• Flash point: 269.484°C (Cal.)