Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester (CAS 6336-93-2) 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.
3-diethoxyphosphinothioylsulfanyl-N-methylpropanamide
Also Known As: O,O-Diethyl S-(N-methylcarbamoyl-2-ethyl) phosphorodithioate, Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester, 3-diethoxyphosphinothioylsulfanyl-N-methylpropanamide, o,o-diethyl s-[3-(methylamino)-3-oxopropyl] phosphorodithioate, 3-[(Diethoxyphosphorothioyl)sulfanyl]-N-methylpropanimidic acid
| Molecular Formula | C8H18NO3PS2 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 1.6 |
| 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 | 6336-93-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCCC(=O)NC |
| InChIKey | MFDULOINDBZJJB-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester (CAS 6336-93-2), with molecular formula C8H18NO3PS2 and molecular weight 271.05 g/mol. IUPAC: 3-diethoxyphosphinothioylsulfanyl-N-methylpropanamide.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester 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 Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester is 6336-93-2.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester is C8H18NO3PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester is 271.05 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-(3-(methylamino)-3-oxopropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.