265
Summary
| Name: | 2-nitrothiophene |
| Formula: | C4 H3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 129.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-nitrothiophene |
| OpenEye OEToolkits | 1.5.0 | 2-nitrothiophene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1sccc1 |
| SMILES | CACTVS | 3.341 | [O-][N+](=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H |
| InChIKey | InChI | 1.03 | JIZRGGUCOQKGQD-UHFFFAOYSA-N |
