2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile (CAS 477865-18-2) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile
Also Known As: 2-(4-chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile, 2-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile, 2-(4-chlorophenyl)-2-(pyridin-2-ylsulfanyl)acetonitrile, 4-Chloro-I+/--(2-pyridinylthio)benzeneacetonitrile, (4-Chlorophenyl)[(pyridin-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 4.09198 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 519.3658 |
Chemical Identifiers
| CAS Number | 477865-18-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC(C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile (CAS 477865-18-2), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 2-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile
The XLogP value of 4.09198 indicates that 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile 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)-2-(2-pyridinylsulfanyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile 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)-2-(2-pyridinylsulfanyl)acetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile is 477865-18-2.
What is the molecular formula of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile is C13H9ClN2S.
What is the molecular weight of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile is 260.02 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile 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)-2-(2-pyridinylsulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.