4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol
TL;DR: 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol (CAS 663181-77-9) is a chemical compound with molecular formula C10H12N4OS and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol, 4-(2-Methoxy-ethyl)-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol, BAS 08311763, 4-(2-methoxyethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-(2-methoxyethyl)-5-pyridin-4-yl-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C10H12N4OS |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.64909 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07318 |
| Heavy Atoms | 16 |
| Complexity | 505.03763 |
Chemical Identifiers
| CAS Number | 663181-77-9 |
|---|---|
| SMILES | COCCN1C(=NNC1=S)C2=CC=NC=C2 |
Product Overview
4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol (CAS 663181-77-9), with molecular formula C10H12N4OS and molecular weight 236.07 g/mol. IUPAC: 4-(2-methoxyethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol
Property Insights of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol
The XLogP value of 1.64909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 55.73 Ų, 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol is 663181-77-9.
What is the molecular formula of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol is C10H12N4OS.
What is the molecular weight of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol is 236.07 g/mol.
Where can I buy 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.