3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline
TL;DR: 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline (CAS 19574-06-2) is a chemical compound with molecular formula C12H8Cl2N2O2S and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline
Also Known As: 3-chloro-4-(2-chloro-4-nitro-phenylsulfanyl)-aniline, 3-chloro-4-(2-chloro-4-nitro-phenyl)sulfanyl-aniline
| Molecular Formula | C12H8Cl2N2O2S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 4.635 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.96835 |
| Heavy Atoms | 19 |
| Complexity | 649.62164 |
Chemical Identifiers
| CAS Number | 19574-06-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline (CAS 19574-06-2), with molecular formula C12H8Cl2N2O2S and molecular weight 313.97 g/mol. IUPAC: 3-chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline
Property Insights of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline
The XLogP value of 4.635 indicates that 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline. Following Lipinski's Rule of Five, 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline 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 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline?
The CAS number of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline is 19574-06-2.
What is the molecular formula of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline?
The molecular formula of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline is C12H8Cl2N2O2S.
What is the molecular weight of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline?
The molecular weight of 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline is 313.97 g/mol.
Where can I buy 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline?
You can request a quote for 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(2-chloro-4-nitrophenyl)sulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.