8-Thiabicyclo(5.1.0)octane
TL;DR: 8-Thiabicyclo(5.1.0)octane (CAS 53907-79-2) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thiabicyclo[5.1.0]octane
Also Known As: 8-Thiabicyclo[5.1.0]octane, 1,2-Epithiocycloheptane, 8-Thiabicyclo(5.1.0)octane, RefChem:312360
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 53907-79-2 |
|---|---|
| SMILES | C1CCC2C(S2)CC1 |
| InChIKey | JSFXOWVGCJQHLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Thiabicyclo(5.1.0)octane (CAS 53907-79-2), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 8-thiabicyclo[5.1.0]octane.
Chemical Property Profile of 8-Thiabicyclo(5.1.0)octane
Property Insights of 8-Thiabicyclo(5.1.0)octane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thiabicyclo(5.1.0)octane. With a topological polar surface area (TPSA) of 25.3 Ų, 8-Thiabicyclo(5.1.0)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Thiabicyclo(5.1.0)octane 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 8-Thiabicyclo(5.1.0)octane?
The CAS number of 8-Thiabicyclo(5.1.0)octane is 53907-79-2.
What is the molecular formula of 8-Thiabicyclo(5.1.0)octane?
The molecular formula of 8-Thiabicyclo(5.1.0)octane is C7H12S.
What is the molecular weight of 8-Thiabicyclo(5.1.0)octane?
The molecular weight of 8-Thiabicyclo(5.1.0)octane is 128.07 g/mol.
Where can I buy 8-Thiabicyclo(5.1.0)octane?
You can request a quote for 8-Thiabicyclo(5.1.0)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thiabicyclo(5.1.0)octane?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiabicyclo(5.1.0)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.