Sulfide, 2,4-dinitrophenyl p-methylbenzyl
TL;DR: Sulfide, 2,4-dinitrophenyl p-methylbenzyl (CAS 19679-59-5) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitrobenzene
Also Known As: Sulfide, 2,4-dinitrophenyl p-methylbenzyl, Sulfide,4-dinitrophenyl p-methylbenzyl, 2,4-Dinitrophenyl-4-methylbenzylthioether, 1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitrobenzene, 1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitro-benzene
| Molecular Formula | C14H12N2O4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0518 |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 19679-59-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YITYJBMOSOYTDQ-UHFFFAOYSA-N |
Product Overview
Sulfide, 2,4-dinitrophenyl p-methylbenzyl (CAS 19679-59-5), with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol. IUPAC: 1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitrobenzene.
Chemical Property Profile of Sulfide, 2,4-dinitrophenyl p-methylbenzyl
Property Insights of Sulfide, 2,4-dinitrophenyl p-methylbenzyl
The XLogP value of 3.9 indicates that Sulfide, 2,4-dinitrophenyl p-methylbenzyl 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 Sulfide, 2,4-dinitrophenyl p-methylbenzyl. Following Lipinski's Rule of Five, Sulfide, 2,4-dinitrophenyl p-methylbenzyl 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 Sulfide, 2,4-dinitrophenyl p-methylbenzyl?
The CAS number of Sulfide, 2,4-dinitrophenyl p-methylbenzyl is 19679-59-5.
What is the molecular formula of Sulfide, 2,4-dinitrophenyl p-methylbenzyl?
The molecular formula of Sulfide, 2,4-dinitrophenyl p-methylbenzyl is C14H12N2O4S.
What is the molecular weight of Sulfide, 2,4-dinitrophenyl p-methylbenzyl?
The molecular weight of Sulfide, 2,4-dinitrophenyl p-methylbenzyl is 304.05 g/mol.
Where can I buy Sulfide, 2,4-dinitrophenyl p-methylbenzyl?
You can request a quote for Sulfide, 2,4-dinitrophenyl p-methylbenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, 2,4-dinitrophenyl p-methylbenzyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, 2,4-dinitrophenyl p-methylbenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.