S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
TL;DR: S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate (CAS 21770-86-5) is a chemical compound with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
Also Known As: Edemo, Edemo 3, VM (nerve agent), 2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine, J1.610.079J
| Molecular Formula | C9H22NO2PS |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 239.11089 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 21770-86-5 |
|---|---|
| SMILES | CCN(CC)CCSP(=O)(C)OCC |
| InChIKey | BKWMHKJLXIRTAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate (CAS 21770-86-5), with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol. IUPAC: 2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine.
Chemical Property Profile of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
Property Insights of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate. With a topological polar surface area (TPSA) of 54.8 Ų, S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate has 0 hydrogen bond donor(s) and 4 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 S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate?
The CAS number of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate is 21770-86-5.
What is the molecular formula of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate?
The molecular formula of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate is C9H22NO2PS.
What is the molecular weight of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate?
The molecular weight of S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate is 239.11 g/mol.
Where can I buy S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate?
You can request a quote for S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(Diethylamino)ethyl) O-ethyl P-methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.