(E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
TL;DR: (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione (CAS 120381-54-6) is a chemical compound with molecular formula C16H8O2S2 and molecular weight 295.99658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
Also Known As: (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
Technical Specifications
| Molecular Formula | C16H8O2S2 |
| Molecular Weight | 295.99658 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.99658 Da |
| Heavy Atoms | 20 |
| Complexity | 500.0 |
| SMILES | C1=CSC(=C1)C(=O)C#C/C=C/C#CC(=O)C2=CC=CS2 |
| InChIKey | DPLIUNOFOBZMCM-OWOJBTEDSA-N |
Chemical Property Profile of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
Property Insights of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
The XLogP value of 4.8 indicates that (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione. Following Lipinski's Rule of Five, (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione?
The CAS number of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione is 120381-54-6.
What is the molecular formula of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione?
The molecular formula of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione is C16H8O2S2.
What is the molecular weight of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione?
The molecular weight of (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione is 295.99658 g/mol.
Where can I buy (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione?
You can request a quote for (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione?
Yes, CoreyChem provides custom synthesis services for (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.