6-Oxa-3,9-dithiaundecane
TL;DR: 6-Oxa-3,9-dithiaundecane (CAS 5648-30-6) is a chemical compound with molecular formula C8H18OS2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane
Also Known As: 6-Oxa-3,9-dithiaundecane, Tinidazole Impurity 27, Ether, bis[2-(ethylthio)ethyl], Ethane, 1,1'-oxybis[2-(ethylthio)-, Diethyl ether, 2,2'-bis(ethylthio)-
| Molecular Formula | C8H18OS2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 194.07991 |
| Heavy Atoms | 11 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 5648-30-6 |
|---|---|
| SMILES | CCSCCOCCSCC |
| InChIKey | NZLCDJADEWGUAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Oxa-3,9-dithiaundecane (CAS 5648-30-6), with molecular formula C8H18OS2 and molecular weight 194.08 g/mol. IUPAC: 1-ethylsulfanyl-2-(2-ethylsulfanylethoxy)ethane.
Chemical Property Profile of 6-Oxa-3,9-dithiaundecane
Property Insights of 6-Oxa-3,9-dithiaundecane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxa-3,9-dithiaundecane. With a topological polar surface area (TPSA) of 59.8 Ų, 6-Oxa-3,9-dithiaundecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxa-3,9-dithiaundecane 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 6-Oxa-3,9-dithiaundecane?
The CAS number of 6-Oxa-3,9-dithiaundecane is 5648-30-6.
What is the molecular formula of 6-Oxa-3,9-dithiaundecane?
The molecular formula of 6-Oxa-3,9-dithiaundecane is C8H18OS2.
What is the molecular weight of 6-Oxa-3,9-dithiaundecane?
The molecular weight of 6-Oxa-3,9-dithiaundecane is 194.08 g/mol.
Where can I buy 6-Oxa-3,9-dithiaundecane?
You can request a quote for 6-Oxa-3,9-dithiaundecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxa-3,9-dithiaundecane?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxa-3,9-dithiaundecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.