![4-Methylbicyclo[2.2.2]octane-1-thiol structure](/static/products/3982/39825-77-9.webp)
4-Methylbicyclo[2.2.2]octane-1-thiol
TL;DR: 4-Methylbicyclo[2.2.2]octane-1-thiol (CAS 39825-77-9) is a chemical compound with molecular formula C9H16S and molecular weight 156.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbicyclo[2.2.2]octane-1-thiol
Also Known As: 4-Methylbicyclo[2.2.2]octane-1-thiol, 1-methylbicyclo[2.2.2]octane-4-thiol, 1-Mercapto-4-methylbicyclo[2.2.2]octane, Bicyclo[2.2.2]octane-1-thiol, 4-methyl-, 4-Methylbicyclo[2.2.2]oct-1-yl hydrosulfide #
| Molecular Formula | C9H16S |
|---|---|
| Molecular Weight | 156.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.09727 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 39825-77-9 |
|---|---|
| SMILES | CC12CCC(CC1)(CC2)S |
| InChIKey | NVWPRKYDKQVFNY-UHFFFAOYSA-N |
Product Overview
4-Methylbicyclo[2.2.2]octane-1-thiol (CAS 39825-77-9), with molecular formula C9H16S and molecular weight 156.10 g/mol. IUPAC: 4-methylbicyclo[2.2.2]octane-1-thiol.
Chemical Property Profile of 4-Methylbicyclo[2.2.2]octane-1-thiol
Property Insights of 4-Methylbicyclo[2.2.2]octane-1-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbicyclo[2.2.2]octane-1-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, 4-Methylbicyclo[2.2.2]octane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbicyclo[2.2.2]octane-1-thiol has 1 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 4-Methylbicyclo[2.2.2]octane-1-thiol?
The CAS number of 4-Methylbicyclo[2.2.2]octane-1-thiol is 39825-77-9.
What is the molecular formula of 4-Methylbicyclo[2.2.2]octane-1-thiol?
The molecular formula of 4-Methylbicyclo[2.2.2]octane-1-thiol is C9H16S.
What is the molecular weight of 4-Methylbicyclo[2.2.2]octane-1-thiol?
The molecular weight of 4-Methylbicyclo[2.2.2]octane-1-thiol is 156.10 g/mol.
Where can I buy 4-Methylbicyclo[2.2.2]octane-1-thiol?
You can request a quote for 4-Methylbicyclo[2.2.2]octane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbicyclo[2.2.2]octane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbicyclo[2.2.2]octane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.