2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile
TL;DR: 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile (CAS 301683-57-8) is a chemical compound with molecular formula C9H8F2N2S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-((difluoromethyl)thio)-4,6-dimethylnicotinonitrile, 2-[(difluoromethyl)sulfanyl]-4,6-dimethylnicotinonitrile, 2-[(difluoromethyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile, F0306-0092, 11M-712
| Molecular Formula | C9H8F2N2S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.88482 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.03763 |
| Heavy Atoms | 14 |
| Complexity | 385.13373 |
Chemical Identifiers
| CAS Number | 301683-57-8 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC(F)F)C |
Product Overview
2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile (CAS 301683-57-8), with molecular formula C9H8F2N2S and molecular weight 214.04 g/mol. IUPAC: 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile
Property Insights of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile
The XLogP value of 2.88482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile 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 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile?
The CAS number of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile is 301683-57-8.
What is the molecular formula of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile is C9H8F2N2S.
What is the molecular weight of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile is 214.04 g/mol.
Where can I buy 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((Difluoromethyl)thio)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.