Demeton-O-methyl
TL;DR: Demeton-O-methyl (CAS 867-27-6) is a chemical compound with molecular formula C6H15O3PS2 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Demeton-O-methyl, Methyl-demeton-O, Metasystox, Methyl-O-demeton, Demeton-O-metile
| Molecular Formula | C6H15O3PS2 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.02002 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| Boiling Point | at 0.07kPa: 93 °C |
| Density | Relative density (water = 1): 1.2 |
| Solubility | Solubility in water, g/100ml at 20 °C: 0.03 |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 0.025 |
Chemical Identifiers
| CAS Number | 867-27-6 |
|---|---|
| SMILES | CCSCCOP(=S)(OC)OC |
| InChIKey | ZVZQKNVMDKSGGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demeton-O-methyl (CAS 867-27-6), with molecular formula C6H15O3PS2 and molecular weight 230.02 g/mol. IUPAC: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Demeton-O-methyl
Property Insights of Demeton-O-methyl
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demeton-O-methyl. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Demeton-O-methyl. Following Lipinski's Rule of Five, Demeton-O-methyl has 0 hydrogen bond donor(s) and 5 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 Demeton-O-methyl?
The CAS number of Demeton-O-methyl is 867-27-6.
What is the molecular formula of Demeton-O-methyl?
The molecular formula of Demeton-O-methyl is C6H15O3PS2.
What is the molecular weight of Demeton-O-methyl?
The molecular weight of Demeton-O-methyl is 230.02 g/mol.
Where can I buy Demeton-O-methyl?
You can request a quote for Demeton-O-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demeton-O-methyl?
Yes, KEHONG BIO provides custom synthesis services for Demeton-O-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.