3-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[(phenyl-pyridin-2-yl-methylidene)amino]thiourea
[CAS# 127716-72-7]

Identification

• Name: 3-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[(phenyl-pyridin-2-yl-methylidene)amino]thiourea
• Synonyms: 3-[[(E)-(2-Hydroxy-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]Amino]-1-[[Phenyl-(2-Pyridyl)Methylene]Amino]Thiourea; 3-[[(E)-(2-Hydroxy-4-Keto-1-Cyclohexa-2,5-Dienylidene)Methyl]Amino]-1-[[Phenyl-(2-Pyridyl)Methylene]Amino]Thiourea; 3-[[(E)-(2-Hydroxy-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]Amino]-1-[(Phenyl-Pyridin-2-Yl-Methylidene)Amino]Thiourea
• Molecular Formula: C₂₀H₁₇N₅O₂S
• Molecular Weight: 391.45
• CAS Registry Number: 127716-72-7
• SMILES: C3=C(\C(=N/NC(=S)NN/C=C1/C(=CC(=O)C=C1)O)C2=CC=CC=N2)C=CC=C3
• InChI: 1S/C20H17N5O2S/c26-16-10-9-15(18(27)12-16)13-22-24-20(28)25-23-19(14-6-2-1-3-7-14)17-8-4-5-11-21-17/h1-13,22,27H,(H2,24,25,28)/b15-13+,23-19+
• InChIKey: GCAWXZQCCKPHDQ-GCEDBABMSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 549.459°C at 760 mmHg (Cal.)
• Flash point: 286.103°C (Cal.)