3,8-Dithiadecane
TL;DR: 3,8-Dithiadecane (CAS 5467-91-4) is a chemical compound with molecular formula C8H18S2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(ethylsulfanyl)butane
Also Known As: 3,8-Dithiadecane, 1,4-Bis(ethylsulfanyl)butane, 1,4-bis(ethylthio)butane, Butane, 1,4-bis(ethylthio)-, 1,4-diethylthiobutane
| Molecular Formula | C8H18S2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.08499 |
| Heavy Atoms | 10 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 5467-91-4 |
|---|---|
| SMILES | CCSCCCCSCC |
| InChIKey | VWVDTVNQHHSYBD-UHFFFAOYSA-N |
Product Overview
3,8-Dithiadecane (CAS 5467-91-4), with molecular formula C8H18S2 and molecular weight 178.08 g/mol. IUPAC: 1,4-bis(ethylsulfanyl)butane.
Chemical Property Profile of 3,8-Dithiadecane
Property Insights of 3,8-Dithiadecane
The XLogP value of 3.0 indicates that 3,8-Dithiadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3,8-Dithiadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dithiadecane 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 3,8-Dithiadecane?
The CAS number of 3,8-Dithiadecane is 5467-91-4.
What is the molecular formula of 3,8-Dithiadecane?
The molecular formula of 3,8-Dithiadecane is C8H18S2.
What is the molecular weight of 3,8-Dithiadecane?
The molecular weight of 3,8-Dithiadecane is 178.08 g/mol.
Where can I buy 3,8-Dithiadecane?
You can request a quote for 3,8-Dithiadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dithiadecane?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dithiadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.