4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 4385-75-5) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-Methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol, 4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol, Maybridge1_005232, 4-(3-Pyridinyl)benzoic acid
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 4385-75-5 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=NC=C2 |
| InChIKey | ACDUEIIMRXEFHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 4385-75-5), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 4385-75-5.
What is the molecular formula of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is C8H8N4S.
What is the molecular weight of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 192.05 g/mol.
Where can I buy 4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-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-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-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.