![Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester structure](/static/products/3133/31333-64-9.webp)
Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester (CAS 31333-64-9) is a chemical compound with molecular formula C8H17O2PS3 and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(2-methylsulfanylprop-1-enylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: FMC 48595, O,O-Diethyl S-(2-(methylthio)-1-propenyl) phosphorodithioate, Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester, Phosphorodithioic acid, O,O-diethyl S-(2-(methylthio)-1-propenyl) ester, Phosphorodithioic acid,O,O-diethyl S-[2-(methylthio)-1-propen-1-yl] ester
| Molecular Formula | C8H17O2PS3 |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.01282 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 31333-64-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC=C(C)SC |
| InChIKey | OODROCAKQYOGSX-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester (CAS 31333-64-9), with molecular formula C8H17O2PS3 and molecular weight 272.01 g/mol. IUPAC: diethoxy-(2-methylsulfanylprop-1-enylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester
The XLogP value of 3.4 indicates that Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] 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-diethyl S-[2-(methylthio)-1-propenyl] ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester is 31333-64-9.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester is C8H17O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester is 272.01 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] 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-[2-(methylthio)-1-propenyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.