甲基内吸磷亚砜
TL;DR: 甲基内吸磷亚砜 (CAS 301-12-2) is a chemical compound with molecular formula C6H15O4PS2 and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基内吸磷亚砜
1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
Also Known As: OXYDEMETON-METHYL, Oxydemeton methyl, Demeton-S-methyl sulfoxide, Metasystemox, Metasystox R
| Molecular Formula | C6H15O4PS2 |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.01494 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| Melting Point | less than -10.0 °C |
| Boiling Point | 106.1 °C at 0.01 mmHg |
| Density | 1.289 at 20.0 °C |
| Solubility | 10 to 50 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | less than 21.7 °C |
| Vapor Pressure | 3.8e-05 millibar at 20.0 °C |
| Refractive Index | 1.5216 @ 20 °C |
Chemical Identifiers
| CAS Number | 301-12-2 |
|---|---|
| SMILES | CCS(=O)CCSP(=O)(OC)OC |
| InChIKey | PMCVMORKVPSKHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基内吸磷亚砜 (CAS 301-12-2), with molecular formula C6H15O4PS2 and molecular weight 246.01 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane.
Chemical Property Profile of 甲基内吸磷亚砜
Property Insights of 甲基内吸磷亚砜
The XLogP value of -0.7 indicates that 甲基内吸磷亚砜 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基内吸磷亚砜. Following Lipinski's Rule of Five, Oxydemeton-methyl 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
Frequently Asked Questions
What is the CAS number of Oxydemeton-methyl?
The CAS number of Oxydemeton-methyl is 301-12-2.
What is the molecular formula of Oxydemeton-methyl?
The molecular formula of Oxydemeton-methyl is C6H15O4PS2.
What is the molecular weight of Oxydemeton-methyl?
The molecular weight of Oxydemeton-methyl is 246.01 g/mol.
Where can I buy Oxydemeton-methyl?
You can request a quote for Oxydemeton-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxydemeton-methyl?
Yes, KEHONG BIO provides custom synthesis services for Oxydemeton-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.