2-Chloro-5-(Methylamino)-2,4,6-Cycloheptatrien-1-One
[CAS# 7061-38-3]

Identification

• Name: 2-Chloro-5-(Methylamino)-2,4,6-Cycloheptatrien-1-One
• Synonyms: 3-[2-(3,4-Dimethoxyphenyl)Ethyl]-5-[(1-Phenyl-3-Pyridin-4-Ylpyrazol-4-Yl)Methylidene]-2-Sulfanylidene-1,3-Thiazolidin-4-One; (5Z)-3-[2-(3,4-Dimethoxyphenyl)Ethyl]-5-[[1-Phenyl-3-(4-Pyridyl)Pyrazol-4-Yl]Methylene]-2-Thioxo-Thiazolidin-4-One; 3-[2-(3,4-Dimethoxyphenyl)Ethyl]-5-[[1-Phenyl-3-(4-Pyridyl)Pyrazol-4-Yl]Methylene]-2-Thioxo-Thiazolidin-4-One
• Molecular Formula: C₂₈H₂₄N₄O₃S₂
• Molecular Weight: 528.64
• CAS Registry Number: 7061-38-3
• SMILES: C3=C(/C=C/1SC(N(C1=O)CCC2=CC=C(C(=C2)OC)OC)=S)C(=N[N]3C4=CC=CC=C4)C5=CC=NC=C5
• InChI: 1S/C28H24N4O3S2/c1-34-23-9-8-19(16-24(23)35-2)12-15-31-27(33)25(37-28(31)36)17-21-18-32(22-6-4-3-5-7-22)30-26(21)20-10-13-29-14-11-20/h3-11,13-14,16-18H,12,15H2,1-2H3/b25-17-
• InChIKey: QOROAFGZOMBVSD-UQQQWYQISA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 710.973°C at 760 mmHg (Cal.)
• Flash point: 383.783°C (Cal.)