![2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile structure](/static/products/918/91822-05-8.png)
2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile
TL;DR: 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile (CAS 91822-05-8) is a chemical compound with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(4-chlorophenyl)sulfanylbenzonitrile
Also Known As: 2-chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile, 2-chloro-6-(4-chlorophenyl)sulfanylbenzonitrile, 2-chloro-6-(4-chlorophenyl)sulfanyl-benzonitrile, C13H7Cl2NS
| Molecular Formula | C13H7Cl2NS |
|---|---|
| Molecular Weight | 278.97 g/mol |
| LogP | 5.01628 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.96762 |
| Heavy Atoms | 17 |
| Complexity | 572.9636 |
Chemical Identifiers
| CAS Number | 91822-05-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)SC2=CC=C(C=C2)Cl |
Product Overview
2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile (CAS 91822-05-8), with molecular formula C13H7Cl2NS and molecular weight 278.97 g/mol. IUPAC: 2-chloro-6-(4-chlorophenyl)sulfanylbenzonitrile.
Chemical Property Profile of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile
Property Insights of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile
The XLogP value of 5.01628 indicates that 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile?
The CAS number of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile is 91822-05-8.
What is the molecular formula of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile?
The molecular formula of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile is C13H7Cl2NS.
What is the molecular weight of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile?
The molecular weight of 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile is 278.97 g/mol.
Where can I buy 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile?
You can request a quote for 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile 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-[(4-chlorophenyl)sulfanyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.