U88
Summary
| Name: | 5-nitro-1,3-thiazole |
| Synonyms: | halicin |
| Formula: | C3 H2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 130.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-nitro-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H |
| InChIKey | InChI | 1.03 | VVVCJCRUFSIVHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[N](=O)c1scnc1 |
| SMILES | CACTVS | 3.385 | O=[N](=O)c1scnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(scn1)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(scn1)N(=O)=O |
