Demephion-S
TL;DR: Demephion-S (CAS 2587-90-8) is a chemical compound with molecular formula C5H13O3PS2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane
Also Known As: Demephion-S, Isotinox, Cebetox, Isonitox, Cymetox
| Molecular Formula | C5H13O3PS2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.00438 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Boiling Point | 65.0 °C at 0.1 mmHg decomposes |
| Density | 1.218 at 25.0 °C |
Chemical Identifiers
| CAS Number | 2587-90-8 |
|---|---|
| SMILES | COP(=O)(OC)SCCSC |
| InChIKey | PSTWJANBJOHFQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demephion-S (CAS 2587-90-8), with molecular formula C5H13O3PS2 and molecular weight 216.00 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane.
Chemical Property Profile of Demephion-S
Property Insights of Demephion-S
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demephion-S. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Demephion-S. Following Lipinski's Rule of Five, Demephion-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 Demephion-S?
The CAS number of Demephion-S is 2587-90-8.
What is the molecular formula of Demephion-S?
The molecular formula of Demephion-S is C5H13O3PS2.
What is the molecular weight of Demephion-S?
The molecular weight of Demephion-S is 216.00 g/mol.
Where can I buy Demephion-S?
You can request a quote for Demephion-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demephion-S?
Yes, KEHONG BIO provides custom synthesis services for Demephion-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.