Thiophene, 3-(phenylethynyl)-
TL;DR: Thiophene, 3-(phenylethynyl)- (CAS 131423-29-5) is a chemical compound with molecular formula C12H8S and molecular weight 184.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenylethynyl)thiophene
Also Known As: 3-(2-phenylethynyl)thiophene, 3-(phenylethynyl)thiophene, Thiophene, 3-(phenylethynyl)-, 3-thiophene phenyl acetylene, Thiophene, 3-(2-phenylethynyl)-
Technical Specifications
| Molecular Formula | C12H8S |
| Molecular Weight | 184.03467 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03467 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=CSC=C2 |
| InChIKey | CVWNFWSBDGLRPO-UHFFFAOYSA-N |
Chemical Property Profile of Thiophene, 3-(phenylethynyl)-
Property Insights of Thiophene, 3-(phenylethynyl)-
The XLogP value of 3.6 indicates that Thiophene, 3-(phenylethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Thiophene, 3-(phenylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 3-(phenylethynyl)- 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
What is the CAS number of Thiophene, 3-(phenylethynyl)-?
The CAS number of Thiophene, 3-(phenylethynyl)- is 131423-29-5.
What is the molecular formula of Thiophene, 3-(phenylethynyl)-?
The molecular formula of Thiophene, 3-(phenylethynyl)- is C12H8S.
What is the molecular weight of Thiophene, 3-(phenylethynyl)-?
The molecular weight of Thiophene, 3-(phenylethynyl)- is 184.03467 g/mol.
Where can I buy Thiophene, 3-(phenylethynyl)-?
You can request a quote for Thiophene, 3-(phenylethynyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiophene, 3-(phenylethynyl)-?
Yes, CoreyChem provides custom synthesis services for Thiophene, 3-(phenylethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.