6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
TL;DR: 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CAS 893752-69-7) is a chemical compound with molecular formula C12H6F3N3S and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-(Trifluoromethyl)-1,2-dihydro-6-(pyridin-3-yl)-2-thioxopyridine-3-carbonitrile, 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C12H6F3N3S |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 3.69667 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.02347 |
| Heavy Atoms | 19 |
| Complexity | 698.88513 |
Chemical Identifiers
| CAS Number | 893752-69-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=CC(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CAS 893752-69-7), with molecular formula C12H6F3N3S and molecular weight 281.02 g/mol. IUPAC: 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Property Insights of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
The XLogP value of 3.69667 indicates that 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has 1 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 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The CAS number of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is 893752-69-7.
What is the molecular formula of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The molecular formula of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is C12H6F3N3S.
What is the molecular weight of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The molecular weight of 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is 281.02 g/mol.
Where can I buy 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
You can request a quote for 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-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-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-pyridin-3-yl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.