![2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid structure](/static/products/4468/446830-35-9.webp)
2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
Also Known As: AP-906/41744906|2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid|2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid|2-[5-(3-nitrophenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]butanoic acid|2-[9-(3-nitrophenyl)-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl]butanoic Acid
CAS: 446830-35-9
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.0576 g/mol |
| LogP | 3.0689 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0576 |
| Monoisotopic Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 1039.6714 |
Chemical Identifiers
| CAS Number | 446830-35-9 |
|---|---|
| SMILES | CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(5-{3-nitrophenyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid (CAS 446830-35-9), with molecular formula C16H13N3O5S and molecular weight 359.0576 g/mol. IUPAC: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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