2,4-Dinitrobenzenesulfenyl chloride
TL;DR: 2,4-Dinitrobenzenesulfenyl chloride (CAS 528-76-7) is a chemical compound with molecular formula C6H3ClN2O4S and molecular weight 233.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) thiohypochlorite
Also Known As: 2,4-Dinitrobenzenesulfenyl chloride, 2,4-Dinitrophenylsulfenyl chloride, Kharasch reagent, Dnp-sulfenyl chloride, Benzenesulfenyl chloride, 2,4-dinitro-
| Molecular Formula | C6H3ClN2O4S |
|---|---|
| Molecular Weight | 233.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.95021 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 528-76-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl |
| InChIKey | GPXDNWQSQHFKRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrobenzenesulfenyl chloride (CAS 528-76-7), with molecular formula C6H3ClN2O4S and molecular weight 233.95 g/mol. IUPAC: (2,4-dinitrophenyl) thiohypochlorite.
Chemical Property Profile of 2,4-Dinitrobenzenesulfenyl chloride
Property Insights of 2,4-Dinitrobenzenesulfenyl chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrobenzenesulfenyl chloride. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrobenzenesulfenyl chloride. Following Lipinski's Rule of Five, 2,4-Dinitrobenzenesulfenyl chloride 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 2,4-Dinitrobenzenesulfenyl chloride?
The CAS number of 2,4-Dinitrobenzenesulfenyl chloride is 528-76-7.
What is the molecular formula of 2,4-Dinitrobenzenesulfenyl chloride?
The molecular formula of 2,4-Dinitrobenzenesulfenyl chloride is C6H3ClN2O4S.
What is the molecular weight of 2,4-Dinitrobenzenesulfenyl chloride?
The molecular weight of 2,4-Dinitrobenzenesulfenyl chloride is 233.95 g/mol.
Where can I buy 2,4-Dinitrobenzenesulfenyl chloride?
You can request a quote for 2,4-Dinitrobenzenesulfenyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrobenzenesulfenyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrobenzenesulfenyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.