Dimethyl (2-(methylthio)ethyl) phosphate
TL;DR: Dimethyl (2-(methylthio)ethyl) phosphate (CAS 682-80-4) is a chemical compound with molecular formula C5H13O4PS and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methylsulfanylethyl phosphate
Also Known As: Demephion-O, Dimethyl (2-(methylthio)ethyl) phosphate
| Molecular Formula | C5H13O4PS |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.02722 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 682-80-4 |
|---|---|
| SMILES | COP(=O)(OC)OCCSC |
| InChIKey | HUIXUGXMQOWMIB-UHFFFAOYSA-N |
Product Overview
Dimethyl (2-(methylthio)ethyl) phosphate (CAS 682-80-4), with molecular formula C5H13O4PS and molecular weight 200.03 g/mol. IUPAC: dimethyl 2-methylsulfanylethyl phosphate.
Chemical Property Profile of Dimethyl (2-(methylthio)ethyl) phosphate
Property Insights of Dimethyl (2-(methylthio)ethyl) phosphate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (2-(methylthio)ethyl) phosphate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (2-(methylthio)ethyl) phosphate. Following Lipinski's Rule of Five, Dimethyl (2-(methylthio)ethyl) phosphate 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 Dimethyl (2-(methylthio)ethyl) phosphate?
The CAS number of Dimethyl (2-(methylthio)ethyl) phosphate is 682-80-4.
What is the molecular formula of Dimethyl (2-(methylthio)ethyl) phosphate?
The molecular formula of Dimethyl (2-(methylthio)ethyl) phosphate is C5H13O4PS.
What is the molecular weight of Dimethyl (2-(methylthio)ethyl) phosphate?
The molecular weight of Dimethyl (2-(methylthio)ethyl) phosphate is 200.03 g/mol.
Where can I buy Dimethyl (2-(methylthio)ethyl) phosphate?
You can request a quote for Dimethyl (2-(methylthio)ethyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2-(methylthio)ethyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2-(methylthio)ethyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.