1-[(4-Methoxy-3-Nitrophenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
[CAS# 186453-57-6]

Identification

• Name: 1-[(4-Methoxy-3-Nitrophenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
• Synonyms: 1-[(4-Methoxy-3-Nitro-Phenyl)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-Methoxy-3-Nitro-Benzyl)Thiourea; 2-((2-Hydroxyphenyl)Methylene)-N-((4-Methoxy-3-Nitrophenyl)Methyl)Hydrazinecarbothioamide
• Molecular Formula: C₁₆H₁₆N₄O₄S
• Molecular Weight: 360.39
• CAS Registry Number: 186453-57-6
• SMILES: C2=C(CNC(=S)NN/C=C1/C(=O)C=CC=C1)C=CC(=C2[N+]([O-])=O)OC
• InChI: 1S/C16H16N4O4S/c1-24-15-7-6-11(8-13(15)20(22)23)9-17-16(25)19-18-10-12-4-2-3-5-14(12)21/h2-8,10,18H,9H2,1H3,(H2,17,19,25)/b12-10+
• InChIKey: IFUSNZVTJASSDQ-ZRDIBKRKSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 563.31°C at 760 mmHg (Cal.)
• Flash point: 294.479°C (Cal.)