2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile (CAS 182127-90-8) is a chemical compound with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile, ZERO/008089, J1.045.525A, 1,2-Dihydro-4-methyl-2-thioxo-6-(trifluoromethyl)pyridine-3-carbonitrile, 4-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C8H5F3N2S |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.94309 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.01256 |
| Heavy Atoms | 14 |
| Complexity | 453.1249 |
Chemical Identifiers
| CAS Number | 182127-90-8 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=C1)C(F)(F)F)C#N |
Product Overview
2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile (CAS 182127-90-8), with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol. IUPAC: 4-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.94309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile has 1 hydrogen bond donor(s) and 2 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-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile is 182127-90-8.
What is the molecular formula of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile is C8H5F3N2S.
What is the molecular weight of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile is 218.01 g/mol.
Where can I buy 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4-methyl-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.