![4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile structure](/static/products/2791/27917-77-7.webp)
4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile
TL;DR: 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile (CAS 27917-77-7) is a chemical compound with molecular formula C13H7ClN2O2S and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-3-nitrobenzonitrile
Also Known As: 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile, 4-((4-Chlorophenyl)thio)-3-nitrobenzonitrile, 4-(4-chlorophenyl)sulfanyl-3-nitrobenzonitrile, 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzonitrile, 11K-529S
| Molecular Formula | C13H7ClN2O2S |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 4.27108 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.99167 |
| Heavy Atoms | 19 |
| Complexity | 665.3337 |
Chemical Identifiers
| CAS Number | 27917-77-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl |
Product Overview
4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile (CAS 27917-77-7), with molecular formula C13H7ClN2O2S and molecular weight 289.99 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-3-nitrobenzonitrile.
Chemical Property Profile of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile
Property Insights of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile
The XLogP value of 4.27108 indicates that 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile. Following Lipinski's Rule of Five, 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile has 0 hydrogen bond donor(s) and 4 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 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile?
The CAS number of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile is 27917-77-7.
What is the molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile?
The molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile is C13H7ClN2O2S.
What is the molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile?
The molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile is 289.99 g/mol.
Where can I buy 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile?
You can request a quote for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.