6-Methyl-2-(methylsulfanyl)nicotinonitrile
TL;DR: 6-Methyl-2-(methylsulfanyl)nicotinonitrile (CAS 91599-74-5) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 6-methyl-2-(methylsulfanyl)nicotinonitrile, 6-methyl-2-(methylthio)-3-pyridinecarbonitrile, 6-Methyl-2- -3-pyridinecarbonitrile, 6-methyl-2-methylsulfanylpyridine-3-carbonitrile, 3-cyano-6-methyl-2-(methylthio)pyridine
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.9836 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 91599-74-5 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SC |
Product Overview
6-Methyl-2-(methylsulfanyl)nicotinonitrile (CAS 91599-74-5), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 6-Methyl-2-(methylsulfanyl)nicotinonitrile
Property Insights of 6-Methyl-2-(methylsulfanyl)nicotinonitrile
The XLogP value of 1.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-(methylsulfanyl)nicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 6-Methyl-2-(methylsulfanyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-(methylsulfanyl)nicotinonitrile 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 6-Methyl-2-(methylsulfanyl)nicotinonitrile?
The CAS number of 6-Methyl-2-(methylsulfanyl)nicotinonitrile is 91599-74-5.
What is the molecular formula of 6-Methyl-2-(methylsulfanyl)nicotinonitrile?
The molecular formula of 6-Methyl-2-(methylsulfanyl)nicotinonitrile is C8H8N2S.
What is the molecular weight of 6-Methyl-2-(methylsulfanyl)nicotinonitrile?
The molecular weight of 6-Methyl-2-(methylsulfanyl)nicotinonitrile is 164.04 g/mol.
Where can I buy 6-Methyl-2-(methylsulfanyl)nicotinonitrile?
You can request a quote for 6-Methyl-2-(methylsulfanyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-(methylsulfanyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-(methylsulfanyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.