7-Diethylamino-3-(4-Isothiocyanatophenyl)-4-Methylchromen-2-One
[CAS# 107743-39-5]

Identification

• Name: 7-Diethylamino-3-(4-Isothiocyanatophenyl)-4-Methylchromen-2-One
• Synonyms: 7-Diethylamino-3-(4-Isothiocyanatophenyl)-4-Methyl-Chromen-2-One; 7-Diethylamino-3-(4-Isothiocyanatophenyl)-4-Methyl-2-Chromenone; 7-Diethylamino-3-(4-Isothiocyanatophenyl)-4-Methyl-Coumarin
• Molecular Formula: C₂₁H₂₀N₂O₂S
• Molecular Weight: 364.46
• CAS Registry Number: 107743-39-5
• SMILES: S=C=NC3=CC=C(C2=C(C1=C(C=C(N(CC)CC)C=C1)OC2=O)C)C=C3
• InChI: 1S/C21H20N2O2S/c1-4-23(5-2)17-10-11-18-14(3)20(21(24)25-19(18)12-17)15-6-8-16(9-7-15)22-13-26/h6-12H,4-5H2,1-3H3
• InChIKey: YALJZNKPECPZAS-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 565.093°C at 760 mmHg (Cal.)
• Flash point: 295.558°C (Cal.)