Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester
TL;DR: Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester (CAS 68715-90-2) is a chemical compound with molecular formula C6H15O2PS2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O-sec-Butyl O-ethyl hydrogen dithiophosphate, Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester, O-sec-butylO-ethylhydrogendithiophosphate, Phosphorodithioic acid, O-ethyl-O-sec-butyl ester, o-sec-butyl o-ethyl hydrogen phosphorodithioate
| Molecular Formula | C6H15O2PS2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.02512 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 68715-90-2 |
|---|---|
| SMILES | CCC(C)OP(=S)(OCC)S |
| InChIKey | UPJRTKXAGROJTG-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester (CAS 68715-90-2), with molecular formula C6H15O2PS2 and molecular weight 214.03 g/mol. IUPAC: butan-2-yloxy-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester
Property Insights of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester
The XLogP value of 3.4 indicates that Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester has 1 hydrogen bond donor(s) and 4 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-ethyl O-(1-methylpropyl) ester?
The CAS number of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester is 68715-90-2.
What is the molecular formula of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester?
The molecular formula of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester is C6H15O2PS2.
What is the molecular weight of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester?
The molecular weight of Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester is 214.03 g/mol.
Where can I buy Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester?
You can request a quote for Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) 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-ethyl O-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O-ethyl O-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.