5-(o-Bromobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate

Base Information

• Chemical Name: 5-(o-Bromobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
• CAS No.: 83427-70-7
• Molecular Formula: C16H16BrNO5S
• Molecular Weight: 414.2709
• DSSTox Substance ID: DTXSID101003428
• Mol file: 83427-70-7.mol

Synonyms:83427-70-7;5-(o-Bromobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate;o-Bromobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate [French];Thieno(3,2-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((2-bromophenyl)methyl)-, ethanedioate;Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-bromophenyl)methyl)-, ethanedioate (1:1);o-Bromobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate;C14H14BrNOS.C2H2O4;DTXSID101003428;C14-H14-Br-N-O-S.C2-H2-O4;LS-152481;Oxalic acid--5-[(2-bromophenyl)methyl]-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one (1/1)

Chemical Property of 5-(o-Bromobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate

Chemical Property:

• Vapor Pressure: 1.45E-08mmHg at 25°C
• Boiling Point: 457.8°Cat760mmHg
• Flash Point: 230.7°C
• PSA: 120.21000
• Density: g/cm³
• LogP: 2.31670
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 412.99326
• Heavy Atom Count: 24
• Complexity: 442

Purity/Quality:

5-(O-BROMOBENZYL)-5,6,7,7A-TETRAHYDRO-4H-THIENO(3,2-C)PYRIDIN-2-ONE OX ALATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O