5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid
5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Also Known As: Allobiotin|Allobiotin, DL-|biotin|Biotin Impurity 24|Biotin Impurity 42|NCGC00017315-01|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-|5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid|BRD-K63899271-001-01-4|5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid|5-((3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|N/A
| Molecular Formula | C10H16N2O3S |
|---|---|
| Molecular Weight | 244.08817 g/mol |
| LogP | 0.7968 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.08817 |
| Monoisotopic Mass | 244.08817 |
| Heavy Atoms | 16 |
| Complexity | 297.78873 |
Chemical Identifiers
| CAS Number | 5652-41-5 |
|---|---|
| SMILES | C1[C@@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 |
Product Overview
5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid (CAS 5652-41-5), with molecular formula C10H16N2O3S and molecular weight 244.08817 g/mol. IUPAC: 5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid.