Tioxaprofen
2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
| Molecular Formula | C18H13Cl2NO3S |
|---|---|
| Molecular Weight | 394.3 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 88.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.99933 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 40198-53-6 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | WGDADRBTCPGSDG-UHFFFAOYSA-N |
📖 Product Overview
Tioxaprofen (CAS: 40198-53-6) is a chemical compound with molecular formula C18H13Cl2NO3S and molecular weight 394.3 g/mol. Its IUPAC systematic name is 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.
WGDADRBTCPGSDG-UHFFFAOYSA-N.
SMILES: CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.
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