Thiophene, 2-(phenylethynyl)-
TL;DR: Thiophene, 2-(phenylethynyl)- (CAS 4805-17-8) is a chemical compound with molecular formula C12H8S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethynyl)thiophene
Also Known As: 2-(Phenylethynyl)thiophene, 2-(2-phenylethynyl)thiophene, 2-Phenylethynyl-thiophene, Thiophene, 2-(phenylethynyl)-, 2-Phenylethynylthiophene
| Molecular Formula | C12H8S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 3.1479 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.03467 |
| Heavy Atoms | 13 |
| Complexity | 415.14807 |
Chemical Identifiers
| CAS Number | 4805-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CS2 |
Product Overview
Thiophene, 2-(phenylethynyl)- (CAS 4805-17-8), with molecular formula C12H8S and molecular weight 184.03 g/mol. IUPAC: 2-(2-phenylethynyl)thiophene.
Chemical Property Profile of Thiophene, 2-(phenylethynyl)-
Property Insights of Thiophene, 2-(phenylethynyl)-
The XLogP value of 3.1479 indicates that Thiophene, 2-(phenylethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Thiophene, 2-(phenylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2-(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
Frequently Asked Questions
What is the CAS number of Thiophene, 2-(phenylethynyl)-?
The CAS number of Thiophene, 2-(phenylethynyl)- is 4805-17-8.
What is the molecular formula of Thiophene, 2-(phenylethynyl)-?
The molecular formula of Thiophene, 2-(phenylethynyl)- is C12H8S.
What is the molecular weight of Thiophene, 2-(phenylethynyl)-?
The molecular weight of Thiophene, 2-(phenylethynyl)- is 184.03 g/mol.
Where can I buy Thiophene, 2-(phenylethynyl)-?
You can request a quote for Thiophene, 2-(phenylethynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2-(phenylethynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2-(phenylethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.