3,5-Dithiaoctane
TL;DR: 3,5-Dithiaoctane (CAS 4479-63-4) 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-(ethylsulfanylmethylsulfanyl)propane
Also Known As: 3,5-dithiaoctane, methyl-3,5-dithiaheptane, 1-(ethylsulfanylmethylsulfanyl)propane
| Molecular Formula | C6H14S2 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.9 |
| 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 | 4479-63-4 |
|---|---|
| SMILES | CCCSCSCC |
| InChIKey | RTXKOZHNOGUZNW-UHFFFAOYSA-N |
Product Overview
3,5-Dithiaoctane (CAS 4479-63-4), with molecular formula C6H14S2 and molecular weight 150.05 g/mol. IUPAC: 1-(ethylsulfanylmethylsulfanyl)propane.
Chemical Property Profile of 3,5-Dithiaoctane
Property Insights of 3,5-Dithiaoctane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dithiaoctane. With a topological polar surface area (TPSA) of 50.6 Ų, 3,5-Dithiaoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-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 3,5-Dithiaoctane?
The CAS number of 3,5-Dithiaoctane is 4479-63-4.
What is the molecular formula of 3,5-Dithiaoctane?
The molecular formula of 3,5-Dithiaoctane is C6H14S2.
What is the molecular weight of 3,5-Dithiaoctane?
The molecular weight of 3,5-Dithiaoctane is 150.05 g/mol.
Where can I buy 3,5-Dithiaoctane?
You can request a quote for 3,5-Dithiaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dithiaoctane?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dithiaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.