![1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene structure](/static/products/2020/20208-81-5.webp)
1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene
TL;DR: 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene (CAS 20208-81-5) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfanyl-2,4-dinitrobenzene
Also Known As: 1-[(4-methylphenyl)sulfanyl]-2,4-dinitrobenzene, KST-1B1506, 2,4-Dinitrophenyl 4-methylphenyl sulfide, 4-Methylphenyl 2,4-dinitrophenyl sulfide, J1.724.201F
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 20208-81-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BBYJXKMKDGGATD-UHFFFAOYSA-N |
Product Overview
1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene (CAS 20208-81-5), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 1-(4-methylphenyl)sulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene
Property Insights of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene
The XLogP value of 4.0 indicates that 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene 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 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-[(4-Methylphenyl)sulfanyl]-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-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene?
The CAS number of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene is 20208-81-5.
What is the molecular formula of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene?
The molecular formula of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene is C13H10N2O4S.
What is the molecular weight of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene?
The molecular weight of 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene is 290.04 g/mol.
Where can I buy 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene?
You can request a quote for 1-[(4-Methylphenyl)sulfanyl]-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-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Methylphenyl)sulfanyl]-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.