Demeton
TL;DR: Demeton (CAS 8065-48-3) is a chemical compound with molecular formula C16H38O6P2S4 and molecular weight 516.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-λ5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
Also Known As: DEMETON, Systox, Mercaptophos, Mercaptofos, Systemox
| Molecular Formula | C16H38O6P2S4 |
|---|---|
| Molecular Weight | 516.10 g/mol |
| LogP | 6.71 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 516.10266 |
| Heavy Atoms | 28 |
| Complexity | 336.0 |
| Melting Point | -25.0 °C |
| Boiling Point | 133.9 °C at 2 mmHg |
| Density | 1.183 |
| Solubility | 0.01 % (NIOSH, 2024) |
| Flash Point | 45.0 °C solution in combustible solvent |
| Vapor Pressure | 0.00026 mmHg |
| Refractive Index | 1.4875 at 20 °C |
Chemical Identifiers
| CAS Number | 8065-48-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC |
| InChIKey | FAXIJTUDSBIMHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demeton (CAS 8065-48-3), with molecular formula C16H38O6P2S4 and molecular weight 516.10 g/mol. IUPAC: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-λ5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.
Chemical Property Profile of Demeton
Property Insights of Demeton
The XLogP value of 6.71 indicates that Demeton is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting Demeton may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demeton has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demeton?
The CAS number of Demeton is 8065-48-3.
What is the molecular formula of Demeton?
The molecular formula of Demeton is C16H38O6P2S4.
What is the molecular weight of Demeton?
The molecular weight of Demeton is 516.10 g/mol.
Where can I buy Demeton?
You can request a quote for Demeton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demeton?
Yes, KEHONG BIO provides custom synthesis services for Demeton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.