6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
TL;DR: 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile (CAS 869950-22-1) is a chemical compound with molecular formula C10H9F3N2S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-5-methyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile, 6-ethyl-5-methyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-ethyl-5-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 6-Ethyl-5-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C10H9F3N2S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.50549 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.04385 |
| Heavy Atoms | 16 |
| Complexity | 508.51126 |
Chemical Identifiers
| CAS Number | 869950-22-1 |
|---|---|
| SMILES | CCC1=C(C(=C(C(=S)N1)C#N)C(F)(F)F)C |
Product Overview
6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile (CAS 869950-22-1), with molecular formula C10H9F3N2S and molecular weight 246.04 g/mol. IUPAC: 6-ethyl-5-methyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
Property Insights of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
The XLogP value of 3.50549 indicates that 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile 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 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The CAS number of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile is 869950-22-1.
What is the molecular formula of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular formula of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile is C10H9F3N2S.
What is the molecular weight of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular weight of 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile is 246.04 g/mol.
Where can I buy 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile?
You can request a quote for 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-1,2-dihydro-5-methyl-2-thioxo-4-(trifluoromethyl)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.