2,5-Dithiaoctane
TL;DR: 2,5-Dithiaoctane (CAS 76229-76-0) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfanylethylsulfanyl)propane
Also Known As: 2,5-dithiaoctane, 1-(2-methylsulfanylethylsulfanyl)propane, 1-(methylsulfanyl)-2-(propylsulfanyl)ethane, J1.591.126C
| Molecular Formula | C6H14S2 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.0537 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 76229-76-0 |
|---|---|
| SMILES | CCCSCCSC |
| InChIKey | OHRWCMYXRYQDQN-UHFFFAOYSA-N |
Product Overview
2,5-Dithiaoctane (CAS 76229-76-0), with molecular formula C6H14S2 and molecular weight 150.05 g/mol. IUPAC: 1-(2-methylsulfanylethylsulfanyl)propane.
Chemical Property Profile of 2,5-Dithiaoctane
Property Insights of 2,5-Dithiaoctane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dithiaoctane. With a topological polar surface area (TPSA) of 50.6 Ų, 2,5-Dithiaoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dithiaoctane has 0 hydrogen bond donor(s) and 2 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 2,5-Dithiaoctane?
The CAS number of 2,5-Dithiaoctane is 76229-76-0.
What is the molecular formula of 2,5-Dithiaoctane?
The molecular formula of 2,5-Dithiaoctane is C6H14S2.
What is the molecular weight of 2,5-Dithiaoctane?
The molecular weight of 2,5-Dithiaoctane is 150.05 g/mol.
Where can I buy 2,5-Dithiaoctane?
You can request a quote for 2,5-Dithiaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dithiaoctane?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dithiaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.