1-Thiacyclodeca-3,8-diyne
TL;DR: 1-Thiacyclodeca-3,8-diyne (CAS 115227-74-2) is a chemical compound with molecular formula C9H10S and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiacyclodeca-3,8-diyne
Also Known As: 1-Thiacyclodeca-3,8-diyne, Thia-3,8-cyclodecadiin, 1-Thia-3,8-cyclodecadiyne, 4-Thia-1,6-cyclodecadiyne, 2H-Thiecin,5,6,7,10-tetrahydro-
| Molecular Formula | C9H10S |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.05032 |
| Heavy Atoms | 10 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 115227-74-2 |
|---|---|
| SMILES | C1CC#CCSCC#CC1 |
| InChIKey | BIXURTSOTIYEDE-UHFFFAOYSA-N |
Product Overview
1-Thiacyclodeca-3,8-diyne (CAS 115227-74-2), with molecular formula C9H10S and molecular weight 150.05 g/mol. IUPAC: 1-thiacyclodeca-3,8-diyne.
Chemical Property Profile of 1-Thiacyclodeca-3,8-diyne
Property Insights of 1-Thiacyclodeca-3,8-diyne
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thiacyclodeca-3,8-diyne. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Thiacyclodeca-3,8-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiacyclodeca-3,8-diyne has 0 hydrogen bond donor(s) and 1 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-Thiacyclodeca-3,8-diyne?
The CAS number of 1-Thiacyclodeca-3,8-diyne is 115227-74-2.
What is the molecular formula of 1-Thiacyclodeca-3,8-diyne?
The molecular formula of 1-Thiacyclodeca-3,8-diyne is C9H10S.
What is the molecular weight of 1-Thiacyclodeca-3,8-diyne?
The molecular weight of 1-Thiacyclodeca-3,8-diyne is 150.05 g/mol.
Where can I buy 1-Thiacyclodeca-3,8-diyne?
You can request a quote for 1-Thiacyclodeca-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-Thiacyclodeca-3,8-diyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiacyclodeca-3,8-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.