2-Mercapto-3-(5-imidazolyl)propionic acid
3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid
Also Known As: 3-oxooxetane|2-Mercapto-3-(5-imidazolyl)propionic acid|3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid|3-(1H-Imidazol-5-yl)-2-mercaptopropanoic acid|3-(3H-imidazol-4-yl)-2-sulfanyl-propanoic acid|1H-Imidazole-4-propanoic acid, alpha-mercapto-, monohydrobromide, (+-)-
CAS: 67047-27-2
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03065 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03065 |
| Monoisotopic Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 67047-27-2 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)O)S |
| InChIKey | XFOMEKQNVWAHBI-UHFFFAOYSA-N |
Product Overview
2-Mercapto-3-(5-imidazolyl)propionic acid (CAS 67047-27-2), with molecular formula C6H8N2O2S and molecular weight 172.03065 g/mol. IUPAC: 3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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