Demeton-S sulfone
TL;DR: Demeton-S sulfone (CAS 2496-91-5) is a chemical compound with molecular formula C8H19O5PS2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
Also Known As: Demeton-S Sulfone, Demeton sulfone, Iso-systox sulfone, Isosystox Sulfone, Isodemeton-sulfone
| Molecular Formula | C8H19O5PS2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 290.04117 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 2496-91-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCS(=O)(=O)CC |
| InChIKey | VMXCTQSDRPKAOC-UHFFFAOYSA-N |
Product Overview
Demeton-S sulfone (CAS 2496-91-5), with molecular formula C8H19O5PS2 and molecular weight 290.04 g/mol. IUPAC: 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane.
Chemical Property Profile of Demeton-S sulfone
Property Insights of Demeton-S sulfone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demeton-S sulfone. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Demeton-S sulfone. Following Lipinski's Rule of Five, Demeton-S sulfone 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 Demeton-S sulfone?
The CAS number of Demeton-S sulfone is 2496-91-5.
What is the molecular formula of Demeton-S sulfone?
The molecular formula of Demeton-S sulfone is C8H19O5PS2.
What is the molecular weight of Demeton-S sulfone?
The molecular weight of Demeton-S sulfone is 290.04 g/mol.
Where can I buy Demeton-S sulfone?
You can request a quote for Demeton-S sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demeton-S sulfone?
Yes, KEHONG BIO provides custom synthesis services for Demeton-S sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.