![7-Thiabicyclo[2.2.1]heptane structure](/static/products/2885/28856-94-2.webp)
7-Thiabicyclo[2.2.1]heptane
TL;DR: 7-Thiabicyclo[2.2.1]heptane (CAS 28856-94-2) is a chemical compound with molecular formula C1CC2CCC1S2 and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-thiabicyclo[2.2.1]heptane
Also Known As: 7-Thianorboranane, 7-Thianorbornane, 7-Thiabicyclo[2.2.1]heptane, 7-Thiabicyclo(2.2.1)heptane
| Molecular Formula | C1CC2CCC1S2 |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05032 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 28856-94-2 |
|---|---|
| SMILES | C1CC2CCC1S2 |
| InChIKey | YADULIHSBVCGOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Thiabicyclo[2.2.1]heptane (CAS 28856-94-2), with molecular formula C1CC2CCC1S2 and molecular weight 114.05 g/mol. IUPAC: 7-thiabicyclo[2.2.1]heptane.
Chemical Property Profile of 7-Thiabicyclo[2.2.1]heptane
Property Insights of 7-Thiabicyclo[2.2.1]heptane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thiabicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 25.3 Ų, 7-Thiabicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Thiabicyclo[2.2.1]heptane 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 7-Thiabicyclo[2.2.1]heptane?
The CAS number of 7-Thiabicyclo[2.2.1]heptane is 28856-94-2.
What is the molecular formula of 7-Thiabicyclo[2.2.1]heptane?
The molecular formula of 7-Thiabicyclo[2.2.1]heptane is C1CC2CCC1S2.
What is the molecular weight of 7-Thiabicyclo[2.2.1]heptane?
The molecular weight of 7-Thiabicyclo[2.2.1]heptane is 114.05 g/mol.
Where can I buy 7-Thiabicyclo[2.2.1]heptane?
You can request a quote for 7-Thiabicyclo[2.2.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Thiabicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 7-Thiabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.