![9-Thiabicyclo[4.2.1]nonane structure](/static/products/6522/6522-54-9.webp)
9-Thiabicyclo[4.2.1]nonane
TL;DR: 9-Thiabicyclo[4.2.1]nonane (CAS 6522-54-9) is a chemical compound with molecular formula C8H14S and molecular weight 142.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiabicyclo[4.2.1]nonane
Also Known As: 9-Thiabicyclo[4.2.1]nonane, 9-Thiabicyclo(4.2.1)nonane
| Molecular Formula | C8H14S |
|---|---|
| Molecular Weight | 142.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.08162 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 6522-54-9 |
|---|---|
| SMILES | C1CCC2CCC(C1)S2 |
| InChIKey | AKRLDENQOOLRKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Thiabicyclo[4.2.1]nonane (CAS 6522-54-9), with molecular formula C8H14S and molecular weight 142.08 g/mol. IUPAC: 9-thiabicyclo[4.2.1]nonane.
Chemical Property Profile of 9-Thiabicyclo[4.2.1]nonane
Property Insights of 9-Thiabicyclo[4.2.1]nonane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Thiabicyclo[4.2.1]nonane. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Thiabicyclo[4.2.1]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo[4.2.1]nonane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Thiabicyclo[4.2.1]nonane?
The CAS number of 9-Thiabicyclo[4.2.1]nonane is 6522-54-9.
What is the molecular formula of 9-Thiabicyclo[4.2.1]nonane?
The molecular formula of 9-Thiabicyclo[4.2.1]nonane is C8H14S.
What is the molecular weight of 9-Thiabicyclo[4.2.1]nonane?
The molecular weight of 9-Thiabicyclo[4.2.1]nonane is 142.08 g/mol.
Where can I buy 9-Thiabicyclo[4.2.1]nonane?
You can request a quote for 9-Thiabicyclo[4.2.1]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thiabicyclo[4.2.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 9-Thiabicyclo[4.2.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.