![2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile structure](/static/products/866/866048-91-1.png)
2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile
TL;DR: 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile (CAS 866048-91-1) 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.
2-(4-chlorophenyl)sulfanyl-5-phenylpyridine-3-carbonitrile
Also Known As: 2-[(4-chlorophenyl)sulfanyl]-5-phenylnicotinonitrile, 2-(4-chlorophenyl)sulfanyl-5-phenylpyridine-3-carbonitrile, 2-[(4-chlorophenyl)sulfanyl]-5-phenylpyridine-3-carbonitrile
| Molecular Formula | C18H11ClN2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 5.42488 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03314 |
| Heavy Atoms | 22 |
| Complexity | 823.95605 |
Chemical Identifiers
| CAS Number | 866048-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(N=C2)SC3=CC=C(C=C3)Cl)C#N |
Product Overview
2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile (CAS 866048-91-1), with molecular formula C18H11ClN2S and molecular weight 322.03 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-5-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile
Property Insights of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile
The XLogP value of 5.42488 indicates that 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile 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]-5-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile?
The CAS number of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile is 866048-91-1.
What is the molecular formula of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile?
The molecular formula of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile is C18H11ClN2S.
What is the molecular weight of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile?
The molecular weight of 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile is 322.03 g/mol.
Where can I buy 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile?
You can request a quote for 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile 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]-5-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.