2-Pyridin-4-ylethynethiol
TL;DR: 2-Pyridin-4-ylethynethiol (CAS 1024284-21-6) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-4-ylethynethiol
Also Known As: 2-pyridin-4-ylethynethiol, (Pyridin-4-yl)ethyne-1-thiol, Ethynethiol, 2-(4-pyridinyl)-, 2-(4-PYRIDINYL)-ETHYNETHIOL
| Molecular Formula | C7H5NS |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 1.3204 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.01427 |
| Heavy Atoms | 9 |
| Complexity | 232.08821 |
Chemical Identifiers
| CAS Number | 1024284-21-6 |
|---|---|
| SMILES | C1=CN=CC=C1C#CS |
Product Overview
2-Pyridin-4-ylethynethiol (CAS 1024284-21-6), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: 2-pyridin-4-ylethynethiol.
Chemical Property Profile of 2-Pyridin-4-ylethynethiol
Property Insights of 2-Pyridin-4-ylethynethiol
The XLogP value of 1.3204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridin-4-ylethynethiol. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Pyridin-4-ylethynethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridin-4-ylethynethiol has 1 hydrogen bond donor(s) and 2 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 2-Pyridin-4-ylethynethiol?
The CAS number of 2-Pyridin-4-ylethynethiol is 1024284-21-6.
What is the molecular formula of 2-Pyridin-4-ylethynethiol?
The molecular formula of 2-Pyridin-4-ylethynethiol is C7H5NS.
What is the molecular weight of 2-Pyridin-4-ylethynethiol?
The molecular weight of 2-Pyridin-4-ylethynethiol is 135.01 g/mol.
Where can I buy 2-Pyridin-4-ylethynethiol?
You can request a quote for 2-Pyridin-4-ylethynethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridin-4-ylethynethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridin-4-ylethynethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.