![1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane structure](/static/products/867/86759-89-9.png)
1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane
TL;DR: 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane (CAS 86759-89-9) is a chemical compound with molecular formula C10H18S and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trimethyl-2-thiabicyclo[2.2.2]octane
Also Known As: 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane, 2-Thiabicyclo[2.2.2]octane, 1,3,4-trimethyl-, 1,2,4-trimethyl-3-thiabicyclo[2.2.2]octane
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.4607 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 165.7116 |
Chemical Identifiers
| CAS Number | 86759-89-9 |
|---|---|
| SMILES | CC1C2(CCC(S1)(CC2)C)C |
Product Overview
1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane (CAS 86759-89-9), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: 1,3,4-trimethyl-2-thiabicyclo[2.2.2]octane.
Chemical Property Profile of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane
Property Insights of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane
The XLogP value of 3.4607 indicates that 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]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 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane?
The CAS number of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane is 86759-89-9.
What is the molecular formula of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane?
The molecular formula of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane is C10H18S.
What is the molecular weight of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane?
The molecular weight of 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane is 170.11 g/mol.
Where can I buy 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane?
You can request a quote for 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Trimethyl-2-thiabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.