5-(1-Oxodithiolan-3-yl)pentanoic acid
5-(1-oxodithiolan-3-yl)pentanoic acid
Also Known As: beta-Lipoic acid|Protogen-B|Thioctic Acid Impurity 3|Thioctic Acid Impurity E|Lipoic Acid Impurity 13|5-(1-oxodithiolan-3-yl)pentanoic acid|1,2-Dithiolane-3-pentanoic acid 1-oxide|Rac-Lipoic Acid Impurity 2 (S-Oxide)|5-(1-oxido-1,2-dithiolan-3-yl)pentanoic acid|3-(4-carboxybutyl)-1,2-dithiolan-1-ium-1-olate|3-(5-Oxo-5-hydroxypentyl)-1,2-dithiolane 1-oxide
CAS: 6992-30-9
| Molecular Formula | C8H14O3S2 |
|---|---|
| Molecular Weight | 222.03844 g/mol |
| LogP | 1.8006 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.03844 |
| Monoisotopic Mass | 222.03844 |
| Heavy Atoms | 13 |
| Complexity | 205.56583 |
Chemical Identifiers
| CAS Number | 6992-30-9 |
|---|---|
| SMILES | C1CS(=O)SC1CCCCC(=O)O |
Product Overview
5-(1-Oxodithiolan-3-yl)pentanoic acid (CAS 6992-30-9), with molecular formula C8H14O3S2 and molecular weight 222.03844 g/mol. IUPAC: 5-(1-oxodithiolan-3-yl)pentanoic 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.
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