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

Base Information

• Chemical Name: 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
• CAS No.: 83427-68-3
• Molecular Formula: C16H16N2O7S
• Molecular Weight: 380.3724
• DSSTox Substance ID: DTXSID401003427
• Mol file: 83427-68-3.mol

Synonyms:5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate;83427-68-3;o-Nitrobenzyl-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-nitrophenyl)methyl)-, ethanedioate;Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-nitrophenyl)methyl)-, ethanedioate (1:1);o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate;DTXSID401003427;C14H14N2O3S.C2H2O4;LS-152488;C14-H14-N2-O3-S.C2-H2-O4;Oxalic acid--5-[(2-nitrophenyl)methyl]-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one (1/1)

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

Chemical Property:

• Vapor Pressure: 3.11E-09mmHg at 25°C
• Boiling Point: 476.2°Cat760mmHg
• Flash Point: 241.8°C
• PSA: 166.03000
• Density: g/cm³
• LogP: 1.98560
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 380.06782203
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O