Bis(4-Chloro-2-nitrophenyl)sulfide
TL;DR: Bis(4-Chloro-2-nitrophenyl)sulfide (CAS 36441-61-9) is a chemical compound with molecular formula C12H6Cl2N2O4S and molecular weight 343.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-chloro-2-nitrophenyl)sulfanyl-2-nitrobenzene
Also Known As: Bis(4Cl2NO2Ph)S, Bis(4-Chloro-2-nitrophenyl)sulfide, 2-Nitro-4-Chlorophenyl Sulfide, bis(2-nitro-4-chlorophenyl)sulfide, Bis(4-chloro-2-nitrophenyl) sulfide
| Molecular Formula | C12H6Cl2N2O4S |
|---|---|
| Molecular Weight | 343.94 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.94254 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 36441-61-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | NZMXSYDYEJRUQX-UHFFFAOYSA-N |
Product Overview
Bis(4-Chloro-2-nitrophenyl)sulfide (CAS 36441-61-9), with molecular formula C12H6Cl2N2O4S and molecular weight 343.94 g/mol. IUPAC: 4-chloro-1-(4-chloro-2-nitrophenyl)sulfanyl-2-nitrobenzene.
Chemical Property Profile of Bis(4-Chloro-2-nitrophenyl)sulfide
Property Insights of Bis(4-Chloro-2-nitrophenyl)sulfide
The XLogP value of 4.9 indicates that Bis(4-Chloro-2-nitrophenyl)sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-Chloro-2-nitrophenyl)sulfide. Following Lipinski's Rule of Five, Bis(4-Chloro-2-nitrophenyl)sulfide has 0 hydrogen bond donor(s) and 5 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 Bis(4-Chloro-2-nitrophenyl)sulfide?
The CAS number of Bis(4-Chloro-2-nitrophenyl)sulfide is 36441-61-9.
What is the molecular formula of Bis(4-Chloro-2-nitrophenyl)sulfide?
The molecular formula of Bis(4-Chloro-2-nitrophenyl)sulfide is C12H6Cl2N2O4S.
What is the molecular weight of Bis(4-Chloro-2-nitrophenyl)sulfide?
The molecular weight of Bis(4-Chloro-2-nitrophenyl)sulfide is 343.94 g/mol.
Where can I buy Bis(4-Chloro-2-nitrophenyl)sulfide?
You can request a quote for Bis(4-Chloro-2-nitrophenyl)sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-Chloro-2-nitrophenyl)sulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-Chloro-2-nitrophenyl)sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.