3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin
TL;DR: 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin (CAS 63543-09-9) is a chemical compound with molecular formula C13H8S2 and molecular weight 228.00674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hex-5-en-1,3-diynyl-6-prop-1-ynyldithiine
Also Known As: Thiarubrine A, thiarubrin a, Thiarubrin(e) A, Thiorubrine A, THIARUBRINE A [MI]
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8S2 |
| Molecular Weight | 228.00674 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.00674 Da |
| Heavy Atoms | 15 |
| Complexity | 521.0 |
| SMILES | CC#CC1=CC=C(SS1)C#CC#CC=C |
| InChIKey | XZHCLKKXXPKULI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin
Property Insights of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin
The XLogP value of 3.8 indicates that 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin 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-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin 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
What is the CAS number of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin?
The CAS number of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin is 63543-09-9.
What is the molecular formula of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin?
The molecular formula of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin is C13H8S2.
What is the molecular weight of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin?
The molecular weight of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin is 228.00674 g/mol.
Where can I buy 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin?
You can request a quote for 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin?
Yes, CoreyChem provides custom synthesis services for 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.