4-[3-[4-[(2S)-2,3-Dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-thioxo-1-imid...
C22H20F3N3O4S
1572045-62-5 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
1572045-62-5

> <ca.index.name>
Benzonitrile, 4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-(trifluoromethyl)-

> <molecular.formula>
C22H20F3N3O4S

> <smiles.canonical>
N#CC1=CC=C(C=C1C(F)(F)F)N2C(=O)C(N(C3=CC=C(OCC(O)CO)C=C3)C2=S)(C)C

> <smiles.isomeric>
S=C1N(C(=O)C(C)(C)N1C2=CC=C(OC[C@H](CO)O)C=C2)C3=CC(C(F)(F)F)=C(C#N)C=C3

> <molecular.weight>
479.47

> <boiling.point.predicted>
648.288±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.505±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.421±0.20    Most Acidic Temp: 25 °C

$$$$
