4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile
TL;DR: 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile (CAS 19-16-9) is a chemical compound with molecular formula C18H11ClN2S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: WVKLJNUEENJDOA-UHFFFAOYSA-, 4-(2-chlorophenyl)-2-mercapto-6-phenylnicotinonitrile, 4-(2-chlorophenyl)-6-phenyl-2-sulfanylpyridine-3-carbonitrile, 4-(2-chlorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, InChI=1/C18H11ClN2S/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)21-18(22)15(14)11-20/h1-10H,(H,21,22)
| Molecular Formula | C18H11ClN2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.03314 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 19-16-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3Cl |
| InChIKey | WVKLJNUEENJDOA-UHFFFAOYSA-N |
Product Overview
4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile (CAS 19-16-9), with molecular formula C18H11ClN2S and molecular weight 322.03 g/mol. IUPAC: 4-(2-chlorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile
Property Insights of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile
The XLogP value of 4.2 indicates that 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile. Following Lipinski's Rule of Five, 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile 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 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile?
The CAS number of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile is 19-16-9.
What is the molecular formula of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile?
The molecular formula of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile is C18H11ClN2S.
What is the molecular weight of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile?
The molecular weight of 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile is 322.03 g/mol.
Where can I buy 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile?
You can request a quote for 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chlorophenyl)-2-mercapto-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.