Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate
TL;DR: Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate (CAS 919-53-9) is a chemical compound with molecular formula C7H15O4PS2 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-diethoxyphosphinothioylsulfanylacetate
Also Known As: Azethion, O,O-Diethyl S-(carbomethoxymethyl) thiothionophosphate, methyl 2-diethoxyphosphinothioylsulfanylacetate, O,O-Diethyl S-(carbomethoxymethyl) phosphorodithioate, 4-03-00-00615 (Beilstein Handbook Reference)
| Molecular Formula | C7H15O4PS2 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.01492 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 919-53-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC(=O)OC |
| InChIKey | NOZSNNNGJMTFCM-UHFFFAOYSA-N |
Product Overview
Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate (CAS 919-53-9), with molecular formula C7H15O4PS2 and molecular weight 258.01 g/mol. IUPAC: methyl 2-diethoxyphosphinothioylsulfanylacetate.
Chemical Property Profile of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate
Property Insights of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate 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 Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate?
The CAS number of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate is 919-53-9.
What is the molecular formula of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate?
The molecular formula of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate is C7H15O4PS2.
What is the molecular weight of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate?
The molecular weight of Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate is 258.01 g/mol.
Where can I buy Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate?
You can request a quote for Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ((diethoxyphosphorothioyl)sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.