5-(2-Bromobenzyl)-5,6,7,7a-Tetrahydro-4H-Thieno[3,2-c]Pyridin-2-One Oxalate
[CAS# 83427-70-7]

Identification

• Name: 5-(2-Bromobenzyl)-5,6,7,7a-Tetrahydro-4H-Thieno[3,2-c]Pyridin-2-One Oxalate
• Synonyms: 5-(2-Bromobenzyl)-4,6,7,7A-Tetrahydrothieno[4,5-C]Pyridin-2-One; Oxalic Acid; 5-[(2-Bromophenyl)Methyl]-4,6,7,7A-Tetrahydrothieno[4,5-C]Pyridin-2-One; Ethanedioic Acid; 5-(O-Bromobenzyl)-5,6,7,7A-Tetrahydro-4H-Thieno(3,2-C)Pyridin-2-One Oxalate
• Molecular Formula: C₁₆H₁₆BrNO₅S
• Molecular Weight: 414.27
• CAS Registry Number: 83427-70-7
• SMILES: C3=C(CN2CC1=CC(SC1CC2)=O)C(=CC=C3)Br.O=C(O)C(=O)O
• InChI: 1S/C14H14BrNOS.C2H2O4/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13;3-1(4)2(5)6/h1-4,7,13H,5-6,8-9H2;(H,3,4)(H,5,6)
• InChIKey: HVKVWIXCUYYQFI-UHFFFAOYSA-N

Properties

• Boiling point: 457.8°C at 760 mmHg (Cal.)
• Flash point: 230.7°C (Cal.)