1-Methylmercapto-2,4-dinitrobenzene
TL;DR: 1-Methylmercapto-2,4-dinitrobenzene (CAS 2363-23-7) is a chemical compound with molecular formula C7H6N2O4S and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-2,4-dinitrobenzene
Also Known As: 2,4-Dinitrothioanisole, Benzene,4-dinitro-, 2,4-Dinitrophenyl methyl sulfide, Methyl 2,4-dinitrophenyl sulfide, 1-Methylmercapto-2,4-dinitrobenzene
| Molecular Formula | C7H6N2O4S |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.00482 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 2363-23-7 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CQLUVMHXDVLHSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylmercapto-2,4-dinitrobenzene (CAS 2363-23-7), with molecular formula C7H6N2O4S and molecular weight 214.00 g/mol. IUPAC: 1-methylsulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-Methylmercapto-2,4-dinitrobenzene
Property Insights of 1-Methylmercapto-2,4-dinitrobenzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylmercapto-2,4-dinitrobenzene. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylmercapto-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-Methylmercapto-2,4-dinitrobenzene 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 1-Methylmercapto-2,4-dinitrobenzene?
The CAS number of 1-Methylmercapto-2,4-dinitrobenzene is 2363-23-7.
What is the molecular formula of 1-Methylmercapto-2,4-dinitrobenzene?
The molecular formula of 1-Methylmercapto-2,4-dinitrobenzene is C7H6N2O4S.
What is the molecular weight of 1-Methylmercapto-2,4-dinitrobenzene?
The molecular weight of 1-Methylmercapto-2,4-dinitrobenzene is 214.00 g/mol.
Where can I buy 1-Methylmercapto-2,4-dinitrobenzene?
You can request a quote for 1-Methylmercapto-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylmercapto-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylmercapto-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.