三氯杀螨砜
TL;DR: 三氯杀螨砜 (CAS 116-29-0) is a chemical compound with molecular formula C12H6Cl4O2S and molecular weight 353.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯杀螨砜
1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene
Also Known As: Tetradichlone, Duphar, Polacaritox, Tetradiphon, Roztoczol
| Molecular Formula | C12H6Cl4O2S |
|---|---|
| Molecular Weight | 353.88 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.88132 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
| Melting Point | 146.5 - 147.5 °C |
| Density | 1.151 @ 20 °C |
| Solubility | Solubility in acetone 67.3, methanol 3.46, ethyl acetate 67.3, hexane 1.52, dichloromethane 297, xylene 105 (all in g/L, 20 °C) |
| Vapor Pressure | 2.40X10-10 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 116-29-0 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl |
| InChIKey | MLGCXEBRWGEOQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯杀螨砜 (CAS 116-29-0), with molecular formula C12H6Cl4O2S and molecular weight 353.88 g/mol. IUPAC: 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene.
Chemical Property Profile of 三氯杀螨砜
Property Insights of 三氯杀螨砜
The XLogP value of 5.1 indicates that 三氯杀螨砜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 三氯杀螨砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯杀螨砜 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三氯杀螨砜?
The CAS number of 三氯杀螨砜 is 116-29-0.
What is the molecular formula of 三氯杀螨砜?
The molecular formula of 三氯杀螨砜 is C12H6Cl4O2S.
What is the molecular weight of 三氯杀螨砜?
The molecular weight of 三氯杀螨砜 is 353.88 g/mol.
Where can I buy 三氯杀螨砜?
You can request a quote for 三氯杀螨砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯杀螨砜?
Yes, KEHONG BIO provides custom synthesis services for 三氯杀螨砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.