3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-1-[(4-Propan-2-Yloxyphenyl)Methyl]Thiourea
[CAS# 186453-53-2]

Identification

• Name: 3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]-1-[(4-Propan-2-Yloxyphenyl)Methyl]Thiourea
• Synonyms: 1-[(4-Isopropoxyphenyl)Methyl]-3-[[(E)-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea; 1-(4-Isopropoxybenzyl)-3-[[(E)-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Methyl]Amino]Thiourea; 2-((2-Hydroxyphenyl)Methylene)-N-((4-(1-Methylethoxy)Phenyl)Methyl)Hydrazinecarbothioamide
• Molecular Formula: C₁₈H₂₁N₃O₂S
• Molecular Weight: 343.44
• CAS Registry Number: 186453-53-2
• SMILES: C2=C(CNC(=S)NN/C=C1/C(=O)C=CC=C1)C=CC(=C2)OC(C)C
• InChI: 1S/C18H21N3O2S/c1-13(2)23-16-9-7-14(8-10-16)11-19-18(24)21-20-12-15-5-3-4-6-17(15)22/h3-10,12-13,20H,11H2,1-2H3,(H2,19,21,24)/b15-12+
• InChIKey: IAHPFNVWFUGLIS-NTCAYCPXSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 496.294°C at 760 mmHg (Cal.)
• Flash point: 253.95°C (Cal.)