![Thiophene, 2-[(4-methylphenyl)ethynyl]- structure](/static/products/807/80746-49-2.png)
Thiophene, 2-[(4-methylphenyl)ethynyl]-
TL;DR: Thiophene, 2-[(4-methylphenyl)ethynyl]- (CAS 80746-49-2) is a chemical compound with molecular formula C13H10S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)ethynyl]thiophene
Also Known As: 2-p-tolylethynyl-thiophene, 2-(p-tolylethynyl)thiophene, 2-[2-(4-methylphenyl)ethynyl]thiophene, Thiophene, 2-[(4-methylphenyl)ethynyl]-, 4-[(2-Thienyl)ethynyl]toluene
| Molecular Formula | C13H10S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 3.45632 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.05032 |
| Heavy Atoms | 14 |
| Complexity | 452.18182 |
Chemical Identifiers
| CAS Number | 80746-49-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CC2=CC=CS2 |
Product Overview
Thiophene, 2-[(4-methylphenyl)ethynyl]- (CAS 80746-49-2), with molecular formula C13H10S and molecular weight 198.05 g/mol. IUPAC: 2-[2-(4-methylphenyl)ethynyl]thiophene.
Chemical Property Profile of Thiophene, 2-[(4-methylphenyl)ethynyl]-
Property Insights of Thiophene, 2-[(4-methylphenyl)ethynyl]-
The XLogP value of 3.45632 indicates that Thiophene, 2-[(4-methylphenyl)ethynyl]- 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-[(4-methylphenyl)ethynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2-[(4-methylphenyl)ethynyl]- 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-[(4-methylphenyl)ethynyl]-?
The CAS number of Thiophene, 2-[(4-methylphenyl)ethynyl]- is 80746-49-2.
What is the molecular formula of Thiophene, 2-[(4-methylphenyl)ethynyl]-?
The molecular formula of Thiophene, 2-[(4-methylphenyl)ethynyl]- is C13H10S.
What is the molecular weight of Thiophene, 2-[(4-methylphenyl)ethynyl]-?
The molecular weight of Thiophene, 2-[(4-methylphenyl)ethynyl]- is 198.05 g/mol.
Where can I buy Thiophene, 2-[(4-methylphenyl)ethynyl]-?
You can request a quote for Thiophene, 2-[(4-methylphenyl)ethynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2-[(4-methylphenyl)ethynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2-[(4-methylphenyl)ethynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.