TL;DR: 5-(3-Penten-1-ynyl)-2,2'-bithienyl (CAS 129050-92-6) is a chemical compound with molecular formula C13H10S2 and molecular weight 230.0224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pent-3-en-1-ynyl-5-thiophen-2-ylthiophene
Also Known As: 5-(3-Penten-1-ynyl)-2,2'-bithienyl, 5-(Pent-3-en-1-yn-1-yl)-2,2'-bithiophene
| Molecular Formula | C13H10S2 |
| Molecular Weight | 230.0224 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0224 Da |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
| SMILES | CC=CC#CC1=CC=C(S1)C2=CC=CS2 |
| InChIKey | FEESEVYIPPQXKI-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 5-(3-Penten-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-Penten-1-ynyl)-2,2'-bithienyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Penten-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.
The CAS number of 5-(3-Penten-1-ynyl)-2,2'-bithienyl is 129050-92-6.
The molecular formula of 5-(3-Penten-1-ynyl)-2,2'-bithienyl is C13H10S2.
The molecular weight of 5-(3-Penten-1-ynyl)-2,2'-bithienyl is 230.0224 g/mol.
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