![2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile structure](/static/products/886/886360-62-9.png)
2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile
TL;DR: 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile (CAS 886360-62-9) 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-(4-chlorophenyl)sulfanylpyridine-3-carbonitrile
Also Known As: 2-[(4-chlorophenyl)sulfanyl]nicotinonitrile, 2-((4-Chlorophenyl)thio)nicotinonitrile, chlorophenylsulfanylnicotinonitrile, 2-(4-chlorophenyl)sulfanylpyridine-3-carbonitrile, 2-(4-chlorophenylthio)pyridine-3-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 | 531.4602 |
Chemical Identifiers
| CAS Number | 886360-62-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C#N |
Product Overview
2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile (CAS 886360-62-9), with molecular formula C12H7ClN2S and molecular weight 246.00 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile
Property Insights of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile
The XLogP value of 3.75788 indicates that 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile 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-[(4-Chlorophenyl)sulfanyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile 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-[(4-Chlorophenyl)sulfanyl]nicotinonitrile?
The CAS number of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile is 886360-62-9.
What is the molecular formula of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile?
The molecular formula of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile is C12H7ClN2S.
What is the molecular weight of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile?
The molecular weight of 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile is 246.00 g/mol.
Where can I buy 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile?
You can request a quote for 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)sulfanyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.