Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester (CAS 58975-95-4) is a chemical compound with molecular formula C9H21O3PS2 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanyl-3-ethylsulfanylpropane
Also Known As: Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester, 1-diethoxyphosphorylsulfanyl-3-ethylsulfanylpropane, S-ethylthiopropyl ester of O,O-diethylthiophosphoric acid, O,O-Diethyl S-[3-(ethylsulfanyl)propyl] phosphorothioate, RefChem:371324
| Molecular Formula | C9H21O3PS2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 4.0439 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 272.067 |
| Heavy Atoms | 15 |
| Complexity | 180.19627 |
Chemical Identifiers
| CAS Number | 58975-95-4 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCCSCC |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester (CAS 58975-95-4), with molecular formula C9H21O3PS2 and molecular weight 272.07 g/mol. IUPAC: 1-diethoxyphosphorylsulfanyl-3-ethylsulfanylpropane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester
The XLogP value of 4.0439 indicates that Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester 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 Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester is 58975-95-4.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester is C9H21O3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester is 272.07 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(3-(ethylthio)propyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.