3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
TL;DR: 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- (CAS 72456-86-1) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile, Maybridge1_006109, 4,6-dimethyl-2-(methylthio)nicotinonitrile, 4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile, 4,6-Dimethyl-2-methylsulfanyl-nicotinonitrile
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 72456-86-1 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC)C |
| InChIKey | XKBIUWWLAZLZKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- (CAS 72456-86-1), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
Property Insights of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- has 0 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 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-?
The CAS number of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- is 72456-86-1.
What is the molecular formula of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-?
The molecular formula of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- is C9H10N2S.
What is the molecular weight of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-?
The molecular weight of 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- is 178.06 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-?
You can request a quote for 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.