O-(2-Ethylhexyl) o-isopropyl dithiophosphate
TL;DR: O-(2-Ethylhexyl) o-isopropyl dithiophosphate (CAS 39638-90-9) is a chemical compound with molecular formula C11H25O2PS2 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O-(2-Ethylhexyl) o-isopropyl dithiophosphate, O-(2-Ethylhexyl) o-isopropyl phosphorodithioate, Phosphorodithioic acid, O-(2-ethylhexyl) O-(1-methylethyl) ester, 2-ethylhexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-, o-(2-ethylhexyl) o-propan-2-yl hydrogen phosphorodithioate
| Molecular Formula | C11H25O2PS2 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.10336 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 39638-90-9 |
|---|---|
| SMILES | CCCCC(CC)COP(=S)(OC(C)C)S |
| InChIKey | SMCZCSWZKNIOOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(2-Ethylhexyl) o-isopropyl dithiophosphate (CAS 39638-90-9), with molecular formula C11H25O2PS2 and molecular weight 284.10 g/mol. IUPAC: 2-ethylhexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-Ethylhexyl) o-isopropyl dithiophosphate
Property Insights of O-(2-Ethylhexyl) o-isopropyl dithiophosphate
The XLogP value of 5.6 indicates that O-(2-Ethylhexyl) o-isopropyl dithiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, O-(2-Ethylhexyl) o-isopropyl dithiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Ethylhexyl) o-isopropyl dithiophosphate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(2-Ethylhexyl) o-isopropyl dithiophosphate?
The CAS number of O-(2-Ethylhexyl) o-isopropyl dithiophosphate is 39638-90-9.
What is the molecular formula of O-(2-Ethylhexyl) o-isopropyl dithiophosphate?
The molecular formula of O-(2-Ethylhexyl) o-isopropyl dithiophosphate is C11H25O2PS2.
What is the molecular weight of O-(2-Ethylhexyl) o-isopropyl dithiophosphate?
The molecular weight of O-(2-Ethylhexyl) o-isopropyl dithiophosphate is 284.10 g/mol.
Where can I buy O-(2-Ethylhexyl) o-isopropyl dithiophosphate?
You can request a quote for O-(2-Ethylhexyl) o-isopropyl dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Ethylhexyl) o-isopropyl dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Ethylhexyl) o-isopropyl dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.