1,6-Dithiacyclodeca-3,8-diyne
TL;DR: 1,6-Dithiacyclodeca-3,8-diyne (CAS 53690-50-9) is a chemical compound with molecular formula C8H8S2 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dithiacyclodeca-3,8-diyne
Also Known As: 1,6-Dithiacyclodeca-3,8-diyne, 1,8-diyne, 1,6-Dithia-3,8-cyclodecadiyne, 4,9-Dithia-1,6-cyclodecadiyne, J1.687.711E
| Molecular Formula | C8H8S2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.00674 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 53690-50-9 |
|---|---|
| SMILES | C1C#CCSCC#CCS1 |
| InChIKey | OOODPCKCQPBXKZ-UHFFFAOYSA-N |
Product Overview
1,6-Dithiacyclodeca-3,8-diyne (CAS 53690-50-9), with molecular formula C8H8S2 and molecular weight 168.01 g/mol. IUPAC: 1,6-dithiacyclodeca-3,8-diyne.
Chemical Property Profile of 1,6-Dithiacyclodeca-3,8-diyne
Property Insights of 1,6-Dithiacyclodeca-3,8-diyne
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dithiacyclodeca-3,8-diyne. With a topological polar surface area (TPSA) of 50.6 Ų, 1,6-Dithiacyclodeca-3,8-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dithiacyclodeca-3,8-diyne 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 1,6-Dithiacyclodeca-3,8-diyne?
The CAS number of 1,6-Dithiacyclodeca-3,8-diyne is 53690-50-9.
What is the molecular formula of 1,6-Dithiacyclodeca-3,8-diyne?
The molecular formula of 1,6-Dithiacyclodeca-3,8-diyne is C8H8S2.
What is the molecular weight of 1,6-Dithiacyclodeca-3,8-diyne?
The molecular weight of 1,6-Dithiacyclodeca-3,8-diyne is 168.01 g/mol.
Where can I buy 1,6-Dithiacyclodeca-3,8-diyne?
You can request a quote for 1,6-Dithiacyclodeca-3,8-diyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dithiacyclodeca-3,8-diyne?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dithiacyclodeca-3,8-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.