![Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- structure](/static/products/890/89039-18-9.png)
Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-
TL;DR: Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- (CAS 89039-18-9) is a chemical compound with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-2-(4-methylphenyl)ethyl]sulfanyl-2,4-dinitrobenzene
Also Known As: Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-, 1-{[2-chloro-2-(4-methylphenyl)ethyl]sulfanyl}-2,4-dinitrobenzene, A3409/0144578, 1-[2-chloro-2-(4-methylphenyl)ethyl]sulfanyl-2,4-dinitrobenzene
| Molecular Formula | C15H13ClN2O4S |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 4.88362 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.02844 |
| Heavy Atoms | 23 |
| Complexity | 736.7568 |
Chemical Identifiers
| CAS Number | 89039-18-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- (CAS 89039-18-9), with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol. IUPAC: 1-[2-chloro-2-(4-methylphenyl)ethyl]sulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-
Property Insights of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-
The XLogP value of 4.88362 indicates that Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-. Following Lipinski's Rule of Five, Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- 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 Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-?
The CAS number of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- is 89039-18-9.
What is the molecular formula of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-?
The molecular formula of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- is C15H13ClN2O4S.
What is the molecular weight of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-?
The molecular weight of Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- is 352.03 g/mol.
Where can I buy Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-?
You can request a quote for Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-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 Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-[[2-chloro-2-(4-methylphenyl)ethyl]thio]-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.