Paraquat dimetilsulfate
TL;DR: Paraquat dimetilsulfate (CAS 2074-50-2) is a chemical compound with molecular formula C14H20N2O8S2 and molecular weight 408.0661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl sulfate
Also Known As: Paraquat methosulfate, Paraquat I, Paraquat dimetilsulfate, Paraquat methylsulfate, Paraquat dimesylate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20N2O8S2 |
| Molecular Weight | 408.0661 g/mol |
| XLogP | -0.81 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 408.0661 Da |
| Heavy Atoms | 26 |
| Complexity | 236.0 |
| Melting Point | 300 °C |
| Boiling Point | Decomposes at 347-356 °F (EPA, 1998) |
| Vapor Pressure | Approximately 0 (EPA, 1998) |
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | WXJYKXOIFICRPR-UHFFFAOYSA-L |
Chemical Property Profile of Paraquat dimetilsulfate
Property Insights of Paraquat dimetilsulfate
The XLogP value of -0.81 indicates that Paraquat dimetilsulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Paraquat dimetilsulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paraquat dimetilsulfate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Paraquat dimetilsulfate?
The CAS number of Paraquat dimetilsulfate is 2074-50-2.
What is the molecular formula of Paraquat dimetilsulfate?
The molecular formula of Paraquat dimetilsulfate is C14H20N2O8S2.
What is the molecular weight of Paraquat dimetilsulfate?
The molecular weight of Paraquat dimetilsulfate is 408.0661 g/mol.
Where can I buy Paraquat dimetilsulfate?
You can request a quote for Paraquat dimetilsulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Paraquat dimetilsulfate?
Yes, CoreyChem provides custom synthesis services for Paraquat dimetilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.