6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile
TL;DR: 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile (CAS 709644-85-9) is a chemical compound with molecular formula C12H6Cl2N2S and molecular weight 279.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4-dichlorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-(2,4-dichlorophenyl) -3-cyanopyridine-2-(1H)-thione, 6-(2,4-dichlorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-(2,4-dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile
| Molecular Formula | C12H6Cl2N2S |
|---|---|
| Molecular Weight | 279.96 g/mol |
| LogP | 4.58967 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.96286 |
| Heavy Atoms | 17 |
| Complexity | 670.93634 |
Chemical Identifiers
| CAS Number | 709644-85-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=CC=C(C(=S)N2)C#N |
Product Overview
6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile (CAS 709644-85-9), with molecular formula C12H6Cl2N2S and molecular weight 279.96 g/mol. IUPAC: 6-(2,4-dichlorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile
Property Insights of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile
The XLogP value of 4.58967 indicates that 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile 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-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile 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-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile?
The CAS number of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile is 709644-85-9.
What is the molecular formula of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile?
The molecular formula of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile is C12H6Cl2N2S.
What is the molecular weight of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile?
The molecular weight of 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile is 279.96 g/mol.
Where can I buy 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile?
You can request a quote for 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-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-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,4-Dichlorophenyl)-2-thioxohydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.