Metasystox
TL;DR: Metasystox (CAS 8022-00-2) is a chemical compound with molecular formula C12H30O6P2S4 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Methyl demeton, Demeton-methyl, Metasystox, Demeton methyl, Methyl systox
| Molecular Formula | C12H30O6P2S4 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 5.15 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 460.04004 |
| Heavy Atoms | 24 |
| Complexity | 291.0 |
| Boiling Point | Decomposes |
| Density | 1.2 at 20.0 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Vapor Pressure | 0.0004 mmHg |
Chemical Identifiers
| CAS Number | 8022-00-2 |
|---|---|
| SMILES | CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC |
| InChIKey | KPNPDRFFWQBXGT-UHFFFAOYSA-N |
Product Overview
Metasystox (CAS 8022-00-2), with molecular formula C12H30O6P2S4 and molecular weight 460.04 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Metasystox
Property Insights of Metasystox
The XLogP value of 5.15 indicates that Metasystox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting Metasystox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metasystox 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 Metasystox?
The CAS number of Metasystox is 8022-00-2.
What is the molecular formula of Metasystox?
The molecular formula of Metasystox is C12H30O6P2S4.
What is the molecular weight of Metasystox?
The molecular weight of Metasystox is 460.04 g/mol.
Where can I buy Metasystox?
You can request a quote for Metasystox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metasystox?
Yes, KEHONG BIO provides custom synthesis services for Metasystox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.