2,4-Dinitrophenyl thiocyanate
TL;DR: 2,4-Dinitrophenyl thiocyanate (CAS 1594-56-5) is a chemical compound with molecular formula C7H3N3O4S and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) thiocyanate
Also Known As: 2,4-DINITROPHENYL THIOCYANATE, Nirit, Grzybol, Gryzbol, nitrite
| Molecular Formula | C7H3N3O4S |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.98442 |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 1594-56-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N |
| InChIKey | XQDQRCRASHAZBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenyl thiocyanate (CAS 1594-56-5), with molecular formula C7H3N3O4S and molecular weight 224.98 g/mol. IUPAC: (2,4-dinitrophenyl) thiocyanate.
Chemical Property Profile of 2,4-Dinitrophenyl thiocyanate
Property Insights of 2,4-Dinitrophenyl thiocyanate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenyl thiocyanate. The TPSA of 141.0 Ų indicates high polarity, suggesting 2,4-Dinitrophenyl thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl thiocyanate has 0 hydrogen bond donor(s) and 6 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-Dinitrophenyl thiocyanate?
The CAS number of 2,4-Dinitrophenyl thiocyanate is 1594-56-5.
What is the molecular formula of 2,4-Dinitrophenyl thiocyanate?
The molecular formula of 2,4-Dinitrophenyl thiocyanate is C7H3N3O4S.
What is the molecular weight of 2,4-Dinitrophenyl thiocyanate?
The molecular weight of 2,4-Dinitrophenyl thiocyanate is 224.98 g/mol.
Where can I buy 2,4-Dinitrophenyl thiocyanate?
You can request a quote for 2,4-Dinitrophenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.