6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile
TL;DR: 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile (CAS 438217-90-4) is a chemical compound with molecular formula C13H8F2N2S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(difluoromethyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile, 6-(DIFLUOROMETHYL)-2-MERCAPTO-4-PHENYLNICOTINONITRILE, 6-(difluoromethyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-(difluoromethyl)-4-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile, 6-(difluoromethyl)-4-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C13H8F2N2S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 4.22047 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.03763 |
| Heavy Atoms | 18 |
| Complexity | 656.9268 |
Chemical Identifiers
| CAS Number | 438217-90-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C(F)F)C#N |
Product Overview
6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile (CAS 438217-90-4), with molecular formula C13H8F2N2S and molecular weight 262.04 g/mol. IUPAC: 6-(difluoromethyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile
Property Insights of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile
The XLogP value of 4.22047 indicates that 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-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-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-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-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile?
The CAS number of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile is 438217-90-4.
What is the molecular formula of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile?
The molecular formula of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile is C13H8F2N2S.
What is the molecular weight of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile?
The molecular weight of 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile is 262.04 g/mol.
Where can I buy 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile?
You can request a quote for 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-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-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.