Chlorthion
TL;DR: Chlorthion (CAS 500-28-7) is a chemical compound with molecular formula C8H9ClNO5PS and molecular weight 296.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Chlorthion, Chlortion, Chlorthion methyl, Chloorthion, Methyl chlorothion
| Molecular Formula | C8H9ClNO5PS |
|---|---|
| Molecular Weight | 296.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.96277 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| Melting Point | 21 °C |
| Boiling Point | 136 °C @ 0.23 mm Hg |
| Density | 1.437 @ 20 °C |
| Solubility | Miscible in benzene, alcohol, ether |
| Vapor Pressure | 0.000004 [mmHg] |
| Refractive Index | 1.5661 @ 20 °C |
Chemical Identifiers
| CAS Number | 500-28-7 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | NZNRRXXETLSZRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorthion (CAS 500-28-7), with molecular formula C8H9ClNO5PS and molecular weight 296.96 g/mol. IUPAC: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Chlorthion
Property Insights of Chlorthion
The XLogP value of 3.5 indicates that Chlorthion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorthion. Following Lipinski's Rule of Five, Chlorthion has 0 hydrogen bond donor(s) and 6 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 Chlorthion?
The CAS number of Chlorthion is 500-28-7.
What is the molecular formula of Chlorthion?
The molecular formula of Chlorthion is C8H9ClNO5PS.
What is the molecular weight of Chlorthion?
The molecular weight of Chlorthion is 296.96 g/mol.
Where can I buy Chlorthion?
You can request a quote for Chlorthion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorthion?
Yes, KEHONG BIO provides custom synthesis services for Chlorthion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.