HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[(Carboxymethyl)thio]-2-methylbutanoic Acid
![3-[(Carboxymethyl)thio]-2-methylbutanoic Acid molecular structure](/img/chemical/20158905.png)
Identifiers & Physical Properties
| Molecular formula | C7H12O4S |
|---|---|
| Average molar mass | 192.24 g/mol |
| Monoisotopic mass | 192.04563003 g/mol |
| SMILES | CC(SCC(=O)O)C(C)C(=O)O |
| InChIKey | HMUZFKILWRVBPL-UHFFFAOYSA-N |
| PubChem CID | 20158905 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 99.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 180 |