Demeton-S
TL;DR: Demeton-S (CAS 126-75-0) is a chemical compound with molecular formula C8H19O3PS2 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
Also Known As: Demeton-S, Thioldemeton, demeton s, Demetonthiol, Isodemeton
| Molecular Formula | C8H19O3PS2 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.05133 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
| Boiling Point | 128 °C at 1 mm Hg |
| Density | Specific gravity: 1.132 at 21 °C |
| Solubility | Soluble in most organic solvents. |
| Vapor Pressure | 0.000262 [mmHg] |
| Refractive Index | 1.5 @ 18 °C |
Chemical Identifiers
| CAS Number | 126-75-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCSCC |
| InChIKey | GRPRVIYRYGLIJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demeton-S (CAS 126-75-0), with molecular formula C8H19O3PS2 and molecular weight 258.05 g/mol. IUPAC: 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.
Chemical Property Profile of Demeton-S
Property Insights of Demeton-S
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demeton-S. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Demeton-S. Following Lipinski's Rule of Five, Demeton-S 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-S?
The CAS number of Demeton-S is 126-75-0.
What is the molecular formula of Demeton-S?
The molecular formula of Demeton-S is C8H19O3PS2.
What is the molecular weight of Demeton-S?
The molecular weight of Demeton-S is 258.05 g/mol.
Where can I buy Demeton-S?
You can request a quote for Demeton-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demeton-S?
Yes, KEHONG BIO provides custom synthesis services for Demeton-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.