5-(3-Buten-1-ynyl)-2,2'-bithienyl
TL;DR: 5-(3-Buten-1-ynyl)-2,2'-bithienyl (CAS 1134-61-8) is a chemical compound with molecular formula C12H8S2 and molecular weight 216.00674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-but-3-en-1-ynyl-5-thiophen-2-ylthiophene
Also Known As: 5-(3-Buten-1-ynyl)-2,2'-bithiophene, 2-but-3-en-1-ynyl-5-thiophen-2-ylthiophene, 5-(3-Buten-1-ynyl)-2,2'-bithienyl, MEGxp0_001541, 5-(but-3-en-1-yn-1-yl)-2,2'-bithiophene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8S2 |
| Molecular Weight | 216.00674 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00674 Da |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
| SMILES | C=CC#CC1=CC=C(S1)C2=CC=CS2 |
| InChIKey | GWAIEOFEEWQORO-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Buten-1-ynyl)-2,2'-bithienyl
Property Insights of 5-(3-Buten-1-ynyl)-2,2'-bithienyl
The XLogP value of 4.2 indicates that 5-(3-Buten-1-ynyl)-2,2'-bithienyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 5-(3-Buten-1-ynyl)-2,2'-bithienyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Buten-1-ynyl)-2,2'-bithienyl 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 5-(3-Buten-1-ynyl)-2,2'-bithienyl?
The CAS number of 5-(3-Buten-1-ynyl)-2,2'-bithienyl is 1134-61-8.
What is the molecular formula of 5-(3-Buten-1-ynyl)-2,2'-bithienyl?
The molecular formula of 5-(3-Buten-1-ynyl)-2,2'-bithienyl is C12H8S2.
What is the molecular weight of 5-(3-Buten-1-ynyl)-2,2'-bithienyl?
The molecular weight of 5-(3-Buten-1-ynyl)-2,2'-bithienyl is 216.00674 g/mol.
Where can I buy 5-(3-Buten-1-ynyl)-2,2'-bithienyl?
You can request a quote for 5-(3-Buten-1-ynyl)-2,2'-bithienyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-Buten-1-ynyl)-2,2'-bithienyl?
Yes, CoreyChem provides custom synthesis services for 5-(3-Buten-1-ynyl)-2,2'-bithienyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.