O,O'-Diisobutyl dithiophosphate
TL;DR: O,O'-Diisobutyl dithiophosphate (CAS 2253-52-3) is a chemical compound with molecular formula C8H19O2PS2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Diisobutyl phosphorodithioate, O,O'-diisobutyl dithiophosphate, O,O-Diisobutyl hydrogen dithiophosphate, diisobutyldithiophosphoric acid, Di(butyl) dithiophosphoric acid
| Molecular Formula | C8H19O2PS2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.05641 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 2253-52-3 |
|---|---|
| SMILES | CC(C)COP(=S)(OCC(C)C)S |
| InChIKey | SYFIMIPHNTZHIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O'-Diisobutyl dithiophosphate (CAS 2253-52-3), with molecular formula C8H19O2PS2 and molecular weight 242.06 g/mol. IUPAC: bis(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O'-Diisobutyl dithiophosphate
Property Insights of O,O'-Diisobutyl dithiophosphate
The XLogP value of 4.3 indicates that O,O'-Diisobutyl 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,O'-Diisobutyl dithiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O'-Diisobutyl dithiophosphate 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 O,O'-Diisobutyl dithiophosphate?
The CAS number of O,O'-Diisobutyl dithiophosphate is 2253-52-3.
What is the molecular formula of O,O'-Diisobutyl dithiophosphate?
The molecular formula of O,O'-Diisobutyl dithiophosphate is C8H19O2PS2.
What is the molecular weight of O,O'-Diisobutyl dithiophosphate?
The molecular weight of O,O'-Diisobutyl dithiophosphate is 242.06 g/mol.
Where can I buy O,O'-Diisobutyl dithiophosphate?
You can request a quote for O,O'-Diisobutyl dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O'-Diisobutyl dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O,O'-Diisobutyl dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.