4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane
TL;DR: 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane (CAS 39137-60-5) is a chemical compound with molecular formula C6H10S3 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,6,7-trithiabicyclo[2.2.2]octane
Also Known As: 4-methyl-2,6,7-trithiabicyclo[2.2.2]octane, 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane, 4-Methyl-2,6,7-trithia-bicyclo[2.2.2]octan, 2,6,7-Trithiabicyclo[2.2.2]octane, 4-methyl-, RefChem:294136
| Molecular Formula | C6H10S3 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99446 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 39137-60-5 |
|---|---|
| SMILES | CC12CSC(SC1)SC2 |
| InChIKey | ZSVSTJLLEQANHO-UHFFFAOYSA-N |
Product Overview
4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane (CAS 39137-60-5), with molecular formula C6H10S3 and molecular weight 177.99 g/mol. IUPAC: 4-methyl-2,6,7-trithiabicyclo[2.2.2]octane.
Chemical Property Profile of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane
Property Insights of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane. Following Lipinski's Rule of Five, 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 3 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-Methyl-2,6,7-trithiabicyclo(2.2.2)octane?
The CAS number of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane is 39137-60-5.
What is the molecular formula of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane?
The molecular formula of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane is C6H10S3.
What is the molecular weight of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane?
The molecular weight of 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane is 177.99 g/mol.
Where can I buy 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane?
You can request a quote for 4-Methyl-2,6,7-trithiabicyclo(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 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2,6,7-trithiabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.