A1A0X
Summary
| Name: | 4-amino-5-methylthiophene-3-carboxylic acid |
| Formula: | C6 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 157.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-5-methylthiophene-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-5-methyl-thiophene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1scc(C(O)=O)c1N |
| InChI | InChI | 1.06 | InChI=1S/C6H7NO2S/c1-3-5(7)4(2-10-3)6(8)9/h2H,7H2,1H3,(H,8,9) |
| InChIKey | InChI | 1.06 | UEGHDHJPAIWDJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(C(O)=O)c1N |
| SMILES | CACTVS | 3.385 | Cc1scc(C(O)=O)c1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(cs1)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(cs1)C(=O)O)N |
