6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 104960-49-8) is a chemical compound with molecular formula C13H7F3N2S and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile, TimTec1_001170, 3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol, 6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 2-CHLORO-N-CYCLOHEXYL-4-PYRIMIDINAMINE
| Molecular Formula | C13H7F3N2S |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.0282 |
| Heavy Atoms | 19 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 104960-49-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C(F)(F)F |
| InChIKey | HZBJUXYKUJPFFA-UHFFFAOYSA-N |
Product Overview
6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 104960-49-8), with molecular formula C13H7F3N2S and molecular weight 280.03 g/mol. IUPAC: 6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 104960-49-8.
What is the molecular formula of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is C13H7F3N2S.
What is the molecular weight of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 280.03 g/mol.
Where can I buy 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.