Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-
TL;DR: Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- (CAS 3770-47-6) 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-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
Also Known As: Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-, 4-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine, 3-Methylmercapto-5-(4-pyridyl)-1,2,4(H)-triazole, 4H-1,2,4-Triazole, 3-methylthio-5-(4-pyridyl)-, 4-[3-(Methylthio)-4H-1,2,4-triazol-5-yl]pyridine
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3770-47-6 |
|---|---|
| SMILES | CSC1=NNC(=N1)C2=CC=NC=C2 |
| InChIKey | XSWFUYNRLMZIRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- (CAS 3770-47-6), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 4-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine.
Chemical Property Profile of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-
Property Insights of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-. Following Lipinski's Rule of Five, Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- 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 Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-?
The CAS number of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- is 3770-47-6.
What is the molecular formula of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-?
The molecular formula of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- is C8H8N4S.
What is the molecular weight of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-?
The molecular weight of Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- is 192.05 g/mol.
Where can I buy Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-?
You can request a quote for Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.