4-Chlorophenyl 2,4-dinitrophenyl sulfide
TL;DR: 4-Chlorophenyl 2,4-dinitrophenyl sulfide (CAS 20114-14-1) is a chemical compound with molecular formula C12H7ClN2O4S and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanyl-2,4-dinitrobenzene
Also Known As: 4-Chlorophenyl 2,4-dinitrophenyl sulfide, p-Chlorophenyl 2,4-dinitrophenylsulfide, 1-(4-chlorophenyl)sulfanyl-2,4-dinitrobenzene, 1-(4-chlorophenylthio)-2,4-dinitrobenzene, J1.762.008H
| Molecular Formula | C12H7ClN2O4S |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9815 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 20114-14-1 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | JJOKSIVIQACHPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl 2,4-dinitrophenyl sulfide (CAS 20114-14-1), with molecular formula C12H7ClN2O4S and molecular weight 309.98 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 4-Chlorophenyl 2,4-dinitrophenyl sulfide
Property Insights of 4-Chlorophenyl 2,4-dinitrophenyl sulfide
The XLogP value of 4.3 indicates that 4-Chlorophenyl 2,4-dinitrophenyl sulfide 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 4-Chlorophenyl 2,4-dinitrophenyl sulfide. Following Lipinski's Rule of Five, 4-Chlorophenyl 2,4-dinitrophenyl sulfide 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 4-Chlorophenyl 2,4-dinitrophenyl sulfide?
The CAS number of 4-Chlorophenyl 2,4-dinitrophenyl sulfide is 20114-14-1.
What is the molecular formula of 4-Chlorophenyl 2,4-dinitrophenyl sulfide?
The molecular formula of 4-Chlorophenyl 2,4-dinitrophenyl sulfide is C12H7ClN2O4S.
What is the molecular weight of 4-Chlorophenyl 2,4-dinitrophenyl sulfide?
The molecular weight of 4-Chlorophenyl 2,4-dinitrophenyl sulfide is 309.98 g/mol.
Where can I buy 4-Chlorophenyl 2,4-dinitrophenyl sulfide?
You can request a quote for 4-Chlorophenyl 2,4-dinitrophenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 2,4-dinitrophenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2,4-dinitrophenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.