1-[(4-Methoxyphenyl)Methyl]-3-[(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methylamino]Thiourea
[CAS# 186453-51-0]

Identification

• Name: 1-[(4-Methoxyphenyl)Methyl]-3-[(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methylamino]Thiourea
• Synonyms: 1-[(4-Methoxyphenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea; 3-[[(E)-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-1-(4-Methoxybenzyl)Thiourea; 3-[(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methylamino]-1-(4-Methoxybenzyl)Thiourea
• Molecular Formula: C₁₆H₁₇N₃O₂S
• Molecular Weight: 315.39
• CAS Registry Number: 186453-51-0
• SMILES: C2=C(CNC(=S)NN/C=C1/C(=O)C=CC=C1)C=CC(=C2)OC
• InChI: 1S/C16H17N3O2S/c1-21-14-8-6-12(7-9-14)10-17-16(22)19-18-11-13-4-2-3-5-15(13)20/h2-9,11,18H,10H2,1H3,(H2,17,19,22)/b13-11+
• InChIKey: ABWCQYBMHZRYSM-ACCUITESSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 481.122°C at 760 mmHg (Cal.)
• Flash point: 244.774°C (Cal.)