O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate
TL;DR: O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate (CAS 29800-19-9) is a chemical compound with molecular formula C8H18NO3PS2 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide
Also Known As: O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate, 2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide, Phosphorodithioic acid, O,O-diethyl S-(2-(ethylamino)-2-oxoethyl) ester, Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamide, Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-ethyl-2-mercaptoacetamide (8CI)
| Molecular Formula | C8H18NO3PS2 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 271.04657 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 29800-19-9 |
|---|---|
| SMILES | CCNC(=O)CSP(=S)(OCC)OCC |
| InChIKey | CPUUWGNOZPRCDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate (CAS 29800-19-9), with molecular formula C8H18NO3PS2 and molecular weight 271.05 g/mol. IUPAC: 2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide.
Chemical Property Profile of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate
Property Insights of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate. Following Lipinski's Rule of Five, O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate has 1 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 O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate?
The CAS number of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate is 29800-19-9.
What is the molecular formula of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate?
The molecular formula of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate is C8H18NO3PS2.
What is the molecular weight of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate?
The molecular weight of O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate is 271.05 g/mol.
Where can I buy O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate?
You can request a quote for O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl S-(N-ethylcarbamoylmethyl) phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.