Chlorthion
TL;DR: Chlorthion (CAS 500-28-7) is a chemical compound with molecular formula C8H9ClNO5PS and molecular weight 296.96277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Chlorthion, Chlortion, Chlorthion methyl, Chloorthion, Methyl chlorothion
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9ClNO5PS |
| Molecular Weight | 296.96277 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.96277 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| Melting Point | 21 °C |
| Boiling Point | 136 °C @ 0.23 mm Hg |
| Density | 1.437 @ 20 °C/4 °C |
| Vapor Pressure | 0.000004 [mmHg] |
| Refractive Index | Index of refraction: 1.5661 @ 20 °C/D |
| Solubility | Miscible in benzene, alcohol, ether |
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | NZNRRXXETLSZRO-UHFFFAOYSA-N |
Product Description
Applications: Chlorthion is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Chlorthion (CAS 500-28-7) is a agrochemical intermediate with the molecular formula C8H9ClNO5PS and a molecular weight of 296.96 g/mol. Key physical properties include a density of 1.437 @ 20 °C/4 °C g/cm³, a solubility: Miscible in benzene, alcohol, ether. Synonyms include Chlorthion and Chlortion.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 296.96277 g/mol.
What are the applications of Chlorthion?
Chlorthion is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Chlorthion?
You can request a quote for Chlorthion directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorthion?
Yes, CoreyChem provides custom synthesis services for Chlorthion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.