2-Chloro-6-(phenylthio)isonicotinonitrile
TL;DR: 2-Chloro-6-(phenylthio)isonicotinonitrile (CAS 266337-46-6) is a chemical compound with molecular formula C12H7ClN2S and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-phenylsulfanylpyridine-4-carbonitrile
Also Known As: 2-chloro-6-(phenylthio)isonicotinonitrile, 2-chloro-6-phenylsulfanylpyridine-4-carbonitrile, 2-chloro-6-phenylsulfanyl-pyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-chloro-6-(phenylthio)-, 2-chloro-6-(phenylsulfanyl)pyridine-4-carbonitrile
| Molecular Formula | C12H7ClN2S |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 3.75788 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.00185 |
| Heavy Atoms | 16 |
| Complexity | 534.4602 |
Chemical Identifiers
| CAS Number | 266337-46-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC(=CC(=C2)C#N)Cl |
Product Overview
2-Chloro-6-(phenylthio)isonicotinonitrile (CAS 266337-46-6), with molecular formula C12H7ClN2S and molecular weight 246.00 g/mol. IUPAC: 2-chloro-6-phenylsulfanylpyridine-4-carbonitrile.
Chemical Property Profile of 2-Chloro-6-(phenylthio)isonicotinonitrile
Property Insights of 2-Chloro-6-(phenylthio)isonicotinonitrile
The XLogP value of 3.75788 indicates that 2-Chloro-6-(phenylthio)isonicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-Chloro-6-(phenylthio)isonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(phenylthio)isonicotinonitrile has 0 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 2-Chloro-6-(phenylthio)isonicotinonitrile?
The CAS number of 2-Chloro-6-(phenylthio)isonicotinonitrile is 266337-46-6.
What is the molecular formula of 2-Chloro-6-(phenylthio)isonicotinonitrile?
The molecular formula of 2-Chloro-6-(phenylthio)isonicotinonitrile is C12H7ClN2S.
What is the molecular weight of 2-Chloro-6-(phenylthio)isonicotinonitrile?
The molecular weight of 2-Chloro-6-(phenylthio)isonicotinonitrile is 246.00 g/mol.
Where can I buy 2-Chloro-6-(phenylthio)isonicotinonitrile?
You can request a quote for 2-Chloro-6-(phenylthio)isonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(phenylthio)isonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(phenylthio)isonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.