Sunagrel
[CAS# 85418-85-5]

Identification

• Name: Sunagrel
• Synonyms: (Z)-1-[4-[2-Hydroxy-2-(4-Isopropylsulfanylphenyl)-1-Methyl-Ethyl]Piperazin-1-Yl]-3-Phenyl-Prop-2-En-1-One; (Z)-1-[4-[2-Hydroxy-2-[4-(Isopropylthio)Phenyl]-1-Methylethyl]-1-Piperazinyl]-3-Phenylprop-2-En-1-One; (Z)-1-[4-[2-Hydroxy-2-[4-(Isopropylthio)Phenyl]-1-Methyl-Ethyl]Piperazin-1-Yl]-3-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₂₅H₃₂N₂O₂S
• Molecular Weight: 424.60
• CAS Registry Number: 85418-85-5
• SMILES: C3=C(\C=C/C(N1CCN(CC1)C(C)C(O)C2=CC=C(C=C2)SC(C)C)=O)C=CC=C3
• InChI: 1S/C25H32N2O2S/c1-19(2)30-23-12-10-22(11-13-23)25(29)20(3)26-15-17-27(18-16-26)24(28)14-9-21-7-5-4-6-8-21/h4-14,19-20,25,29H,15-18H2,1-3H3/b14-9-
• InChIKey: UUHFEOMKFKXLCB-ZROIWOOFSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 625.115°C at 760 mmHg (Cal.)
• Flash point: 331.858°C (Cal.)