Benzenethiol, 2,4-dinitro-
TL;DR: Benzenethiol, 2,4-dinitro- (CAS 2218-96-4) is a chemical compound with molecular formula C6H4N2O4S and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitrobenzenethiol
Also Known As: 2,4-Dinitrobenzenethiol, 2,4-Dinitrobenzene-1-thiol, Benzenethiol, 2,4-dinitro-, Benzenethiol,2,4-dinitro-, 2,4-dinitrophenylmercaptan
| Molecular Formula | C6H4N2O4S |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.98918 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 2218-96-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S |
| InChIKey | MHKRINONGZJSSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenethiol, 2,4-dinitro- (CAS 2218-96-4), with molecular formula C6H4N2O4S and molecular weight 199.99 g/mol. IUPAC: 2,4-dinitrobenzenethiol.
Chemical Property Profile of Benzenethiol, 2,4-dinitro-
Property Insights of Benzenethiol, 2,4-dinitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenethiol, 2,4-dinitro-. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenethiol, 2,4-dinitro-. Following Lipinski's Rule of Five, Benzenethiol, 2,4-dinitro- has 1 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 Benzenethiol, 2,4-dinitro-?
The CAS number of Benzenethiol, 2,4-dinitro- is 2218-96-4.
What is the molecular formula of Benzenethiol, 2,4-dinitro-?
The molecular formula of Benzenethiol, 2,4-dinitro- is C6H4N2O4S.
What is the molecular weight of Benzenethiol, 2,4-dinitro-?
The molecular weight of Benzenethiol, 2,4-dinitro- is 199.99 g/mol.
Where can I buy Benzenethiol, 2,4-dinitro-?
You can request a quote for Benzenethiol, 2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.