Pimetacin
[CAS# 79992-71-5]

Identification

• Name: Pimetacin
• Synonyms: S-(3-Pyridylmethyl) 2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-Indol-3-Yl]Ethanethioate; 2-[1-[(4-Chlorophenyl)-Oxomethyl]-5-Methoxy-2-Methyl-3-Indolyl]Ethanethioic Acid S-(3-Pyridylmethyl) Ester; 2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-Indol-3-Yl]Ethanethioic Acid S-(3-Pyridylmethyl) Ester
• Molecular Formula: C₂₅H₂₁ClN₂O₃S
• Molecular Weight: 464.97
• CAS Registry Number: 79992-71-5
• SMILES: C1=CC(=CC2=C1[N](C(=C2CC(SCC3=CN=CC=C3)=O)C)C(C4=CC=C(C=C4)Cl)=O)OC
• InChI: 1S/C25H21ClN2O3S/c1-16-21(13-24(29)32-15-17-4-3-11-27-14-17)22-12-20(31-2)9-10-23(22)28(16)25(30)18-5-7-19(26)8-6-18/h3-12,14H,13,15H2,1-2H3
• InChIKey: GVHKSMYWAFEEBI-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 599.958°C at 760 mmHg (Cal.)
• Flash point: 316.643°C (Cal.)