![9-Thiabicyclo[3.3.1]nonane structure](/static/products/2904/2904-28-1.webp)
9-Thiabicyclo[3.3.1]nonane
TL;DR: 9-Thiabicyclo[3.3.1]nonane (CAS 2904-28-1) is a chemical compound with molecular formula C1CC2CCCC(C1)S2 and molecular weight 142.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-thiabicyclo[3.3.1]nonane
Also Known As: 9-Thiabicyclo[3.3.1]nonane, 9-Thiabicyclo(3.3.1)nonane, C12CCCC(S1)CCC2, 9-Thiabicyclo<3.3.2>nonan, J1.495.245D
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C1CC2CCCC(C1)S2 |
| Molecular Weight | 142.08162 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.08162 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| SMILES | C1CC2CCCC(C1)S2 |
| InChIKey | PXIVTQKYHYIJES-UHFFFAOYSA-N |
Product Description
Applications: 9-Thiabicyclo[3.3.1]nonane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 9-Thiabicyclo[3.3.1]nonane (CAS 2904-28-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
9-Thiabicyclo[3.3.1]nonane is a heterocyclic building block identified by CAS number 2904-28-1 and the molecular formula C1CC2CCCC(C1)S2 and a molecular weight of 142.08 g/mol. It is also known as 9-Thiabicyclo[3.3.1]nonane and 9-Thiabicyclo(3.3.1)nonane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 9-Thiabicyclo[3.3.1]nonane
Property Insights of 9-Thiabicyclo[3.3.1]nonane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Thiabicyclo[3.3.1]nonane. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Thiabicyclo[3.3.1]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo[3.3.1]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
What is the CAS number of 9-Thiabicyclo[3.3.1]nonane?
The CAS number of 9-Thiabicyclo[3.3.1]nonane is 2904-28-1.
What is the molecular formula of 9-Thiabicyclo[3.3.1]nonane?
The molecular formula of 9-Thiabicyclo[3.3.1]nonane is C1CC2CCCC(C1)S2.
What is the molecular weight of 9-Thiabicyclo[3.3.1]nonane?
The molecular weight of 9-Thiabicyclo[3.3.1]nonane is 142.08162 g/mol.
What are the applications of 9-Thiabicyclo[3.3.1]nonane?
9-Thiabicyclo[3.3.1]nonane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 9-Thiabicyclo[3.3.1]nonane...
Where can I buy 9-Thiabicyclo[3.3.1]nonane?
You can request a quote for 9-Thiabicyclo[3.3.1]nonane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Thiabicyclo[3.3.1]nonane?
Yes, CoreyChem provides custom synthesis services for 9-Thiabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.