| Molecular Formula | C4H2N2O4S |
| Canonicalized Compound | 1 |
| Compound Complexity | 191 |
| Hydrogen Bond Donor Count | 1 |
| Rotatable Bond Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Allowed IUPAC Name | 5-nitroisothiazole-3-carboxylic acid |
| CAS-like Style IUPAC Name | 5-nitro-3-isothiazolecarboxylic acid |
| Markup IUPAC Name | 5-nitro-1,2-thiazole-3-carboxylic acid |
| Preferred IUPAC Name | 5-nitro-1,2-thiazole-3-carboxylic acid |
| Systematic IUPAC Name | 5-nitro-1,2-thiazole-3-carboxylic acid |
| Traditional IUPAC Name | 5-nitroisothiazole-3-carboxylic acid |
| Standard InChI | InChI=1S/C4H2N2O4S/c7-4(8)2-1-3(6(9)10)11-5-2/h1H,(H,7,8) |
| Standard InChIKey | VYNSNKZEWKFVJN-UHFFFAOYSA-N |
| XLogP3-AA Log P | 1 |
| Exact Mass | 173.97352772 |
| Molecular Weight | 174.14 |
| Canonical SMILES | C1=C(SN=C1C(=O)O)[N+](=O)[O-] |
| Isomeric SMILES | C1=C(SN=C1C(=O)O)[N+](=O)[O-] |
| Polar Surface Area Topological | 124 |
| MonoIsotopic Weight | 173.97352772 |
| Chemical Structure |  |
| Class | Specialty Materials |
