KMT
Summary
| Name: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID |
| Formula: | C5 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 148.18 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(methylsulfanyl)-2-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-methylsulfanyl-2-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CCSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCCC(=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CSCCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCCC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | SXFSQZDSUWACKX-UHFFFAOYSA-N |
