4'-Methylthio-2,2':6',2''-terpyridine
TL;DR: 4'-Methylthio-2,2':6',2''-terpyridine (CAS 79886-22-9) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2,6-dipyridin-2-ylpyridine
Also Known As: 4'-methylthio-2,2':6',2''-terpyridine, 4'-(Methylthio)-2,2':6',2''-terpyridine, 4-methylsulfanyl-2,6-dipyridin-2-ylpyridine, 4-methylsulfanyl-2,6-bis(2-pyridyl)pyridine, NCI60_027351
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 79886-22-9 |
|---|---|
| SMILES | CSC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3 |
| InChIKey | QKGHDDGIUNCPCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Methylthio-2,2':6',2''-terpyridine (CAS 79886-22-9), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 4-methylsulfanyl-2,6-dipyridin-2-ylpyridine.
Chemical Property Profile of 4'-Methylthio-2,2':6',2''-terpyridine
Property Insights of 4'-Methylthio-2,2':6',2''-terpyridine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylthio-2,2':6',2''-terpyridine. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methylthio-2,2':6',2''-terpyridine. Following Lipinski's Rule of Five, 4'-Methylthio-2,2':6',2''-terpyridine has 0 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'-Methylthio-2,2':6',2''-terpyridine?
The CAS number of 4'-Methylthio-2,2':6',2''-terpyridine is 79886-22-9.
What is the molecular formula of 4'-Methylthio-2,2':6',2''-terpyridine?
The molecular formula of 4'-Methylthio-2,2':6',2''-terpyridine is C16H13N3S.
What is the molecular weight of 4'-Methylthio-2,2':6',2''-terpyridine?
The molecular weight of 4'-Methylthio-2,2':6',2''-terpyridine is 279.08 g/mol.
Where can I buy 4'-Methylthio-2,2':6',2''-terpyridine?
You can request a quote for 4'-Methylthio-2,2':6',2''-terpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylthio-2,2':6',2''-terpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylthio-2,2':6',2''-terpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.