A8C
Summary
| Name: | 3-(methylsulfanyl)propanoic acid |
| Formula: | C4 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 120.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(methylsulfanyl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-methylsulfanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | InChI | 1.03 | CAOMCZAIALVUPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCCC(O)=O |
| SMILES | CACTVS | 3.385 | CSCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CSCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CSCCC(=O)O |
