![4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine structure](/static/products/1164/1164560-63-7.webp)
4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine
TL;DR: 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine (CAS 1164560-63-7) is a chemical compound with molecular formula C9H9ClN2O2S and molecular weight 244.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1-methylsulfanyl-2-nitroethenyl)aniline
Also Known As: 4-chloro-N-(1-methylsulfanyl-2-nitroethenyl)aniline, 4-chloro-N-[1-(methylsulfanyl)-2-nitrovinyl]aniline, Benzenamine, 4-chloro-N-[1-(methylthio)-2-nitroethenyl]-, 4-Chloro-N-(1-(methylthio)-2-nitroethenyl)benzenamine, 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine
| Molecular Formula | C9H9ClN2O2S |
|---|---|
| Molecular Weight | 244.01 g/mol |
| LogP | 3.1905 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.00732 |
| Heavy Atoms | 15 |
| Complexity | 378.20367 |
Chemical Identifiers
| CAS Number | 1164560-63-7 |
|---|---|
| SMILES | CSC(=C[N+](=O)[O-])NC1=CC=C(C=C1)Cl |
Product Overview
4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine (CAS 1164560-63-7), with molecular formula C9H9ClN2O2S and molecular weight 244.01 g/mol. IUPAC: 4-chloro-N-(1-methylsulfanyl-2-nitroethenyl)aniline.
Chemical Property Profile of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine
Property Insights of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine
The XLogP value of 3.1905 indicates that 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine has 1 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-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine?
The CAS number of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine is 1164560-63-7.
What is the molecular formula of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine?
The molecular formula of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine is C9H9ClN2O2S.
What is the molecular weight of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine?
The molecular weight of 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine is 244.01 g/mol.
Where can I buy 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine?
You can request a quote for 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-[1-(methylthio)-2-nitroethenyl]benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.