1-[(4-Nitrophenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
[CAS# 186453-54-3]

Identification

• Name: 1-[(4-Nitrophenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea
• Synonyms: 3-[[(E)-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-1-(4-Nitrobenzyl)Thiourea; 2-((2-Hydroxyphenyl)Methylene)-N-((4-Nitrophenyl)Methyl)Hydrazinecarbothioamide; Hydrazinecarbothioamide, 2-((2-Hydroxyphenyl)Methylene)-N-((4-Nitrophenyl)Methyl)-
• Molecular Formula: C₁₅H₁₄N₄O₃S
• Molecular Weight: 330.36
• CAS Registry Number: 186453-54-3
• SMILES: C2=C(CNC(=S)NN/C=C1/C(=O)C=CC=C1)C=CC(=C2)[N+]([O-])=O
• InChI: 1S/C15H14N4O3S/c20-14-4-2-1-3-12(14)10-17-18-15(23)16-9-11-5-7-13(8-6-11)19(21)22/h1-8,10,17H,9H2,(H2,16,18,23)/b12-10+
• InChIKey: RRDKRDWRIVHQNG-ZRDIBKRKSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 527.82°C at 760 mmHg (Cal.)
• Flash point: 273.016°C (Cal.)