3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane;perchloric acid
Also Known As: BRB-I-28 perchlorate|ACMC-20lllf|7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate|3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate|7-(Phenylmethyl)-3-thia-7-azabicyclo(3.3.1)nonane perchlorate|3-Thia-7-azabicyclo[3.3.1]nonane, 7-(phenylmethyl)-, perchlorate (1:1)|7-benzyl 3-thia-7-azabicyclo(3.3.1)nonane hydroperchlorate|7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane; perchloric acid
| Molecular Formula | C14H20ClNO4S |
|---|---|
| Molecular Weight | 333.08017 g/mol |
| LogP | -1.2525 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.08017 |
| Monoisotopic Mass | 333.08017 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 89398-07-2 |
|---|---|
| SMILES | C1C2CN(CC1CSC2)CC3=CC=CC=C3.OCl(=O)(=O)=O |
| InChIKey | TXIGULLQJOBKIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate (CAS 89398-07-2), with molecular formula C14H20ClNO4S and molecular weight 333.08017 g/mol. IUPAC: 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane;perchloric acid.