Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester
TL;DR: Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester (CAS 4752-35-6) is a chemical compound with molecular formula C5H13O2PS3 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(2-methylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: starbld0026750, Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester, O,O-Dimethyl methylmercaptoethyl dithiophosphate, 4-01-00-02460 (Beilstein Handbook Reference), O,O-Dimethyl S-(2-(methylthio)ethyl) phosphorodithioate
| Molecular Formula | C5H13O2PS3 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.98154 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 4752-35-6 |
|---|---|
| SMILES | COP(=S)(OC)SCCSC |
| InChIKey | ABKKUIZOZFQVAA-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester (CAS 4752-35-6), with molecular formula C5H13O2PS3 and molecular weight 231.98 g/mol. IUPAC: dimethoxy-(2-methylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester
Property Insights of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl 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 Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester?
The CAS number of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester is 4752-35-6.
What is the molecular formula of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester?
The molecular formula of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester is C5H13O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester?
The molecular weight of Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester is 231.98 g/mol.
Where can I buy Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester?
You can request a quote for Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl 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-dimethyl S-2-(methylthio)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-dimethyl S-2-(methylthio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.