![9-Thiabicyclo[6.1.0]nonane structure](/static/products/1134/113477-87-5.webp)
9-Thiabicyclo[6.1.0]nonane
TL;DR: 9-Thiabicyclo[6.1.0]nonane (CAS 113477-87-5) is a chemical compound with molecular formula C8H14S and molecular weight 142.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-thiabicyclo[6.1.0]nonane
Also Known As: 9-Thiabicyclo[6.1.0]nonane, Cyclooctene, sulfide, cyclooctene sulfide, 2,3-Hexanothiirane, 1,2-Epithiocyclooctane
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14S |
| Molecular Weight | 142.08162 g/mol |
| XLogP | 3.1 |
| 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 | 88.0 |
| SMILES | C1CCCC2C(S2)CC1 |
| InChIKey | XBGDHPDWTHUXFN-UHFFFAOYSA-N |
Chemical Property Profile of 9-Thiabicyclo[6.1.0]nonane
Property Insights of 9-Thiabicyclo[6.1.0]nonane
The XLogP value of 3.1 indicates that 9-Thiabicyclo[6.1.0]nonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Thiabicyclo[6.1.0]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo[6.1.0]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[6.1.0]nonane?
The CAS number of 9-Thiabicyclo[6.1.0]nonane is 113477-87-5.
What is the molecular formula of 9-Thiabicyclo[6.1.0]nonane?
The molecular formula of 9-Thiabicyclo[6.1.0]nonane is C8H14S.
What is the molecular weight of 9-Thiabicyclo[6.1.0]nonane?
The molecular weight of 9-Thiabicyclo[6.1.0]nonane is 142.08162 g/mol.
Where can I buy 9-Thiabicyclo[6.1.0]nonane?
You can request a quote for 9-Thiabicyclo[6.1.0]nonane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Thiabicyclo[6.1.0]nonane?
Yes, CoreyChem provides custom synthesis services for 9-Thiabicyclo[6.1.0]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.