O,O-DI(1,3-Dimethylbutyl)dithiophosphate
TL;DR: O,O-DI(1,3-Dimethylbutyl)dithiophosphate (CAS 6028-47-3) is a chemical compound with molecular formula C12H27O2PS2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Bis(1,3-dimethylbutyl) dithiophosphate, 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate, O,O-di(1,3-dimethylbutyl)dithiophosphate, O,O-Bis(1,3-dimethylbutyl) phosphorodithioate, bis-(1,3-Dimethylbutyl) dithiophosphate
| Molecular Formula | C12H27O2PS2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.11902 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 6028-47-3 |
|---|---|
| SMILES | CC(C)CC(C)OP(=S)(OC(C)CC(C)C)S |
| InChIKey | KGYKKBGZPGVFOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-DI(1,3-Dimethylbutyl)dithiophosphate (CAS 6028-47-3), with molecular formula C12H27O2PS2 and molecular weight 298.12 g/mol. IUPAC: bis(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-DI(1,3-Dimethylbutyl)dithiophosphate
Property Insights of O,O-DI(1,3-Dimethylbutyl)dithiophosphate
The XLogP value of 5.9 indicates that O,O-DI(1,3-Dimethylbutyl)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-DI(1,3-Dimethylbutyl)dithiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-DI(1,3-Dimethylbutyl)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,O-DI(1,3-Dimethylbutyl)dithiophosphate?
The CAS number of O,O-DI(1,3-Dimethylbutyl)dithiophosphate is 6028-47-3.
What is the molecular formula of O,O-DI(1,3-Dimethylbutyl)dithiophosphate?
The molecular formula of O,O-DI(1,3-Dimethylbutyl)dithiophosphate is C12H27O2PS2.
What is the molecular weight of O,O-DI(1,3-Dimethylbutyl)dithiophosphate?
The molecular weight of O,O-DI(1,3-Dimethylbutyl)dithiophosphate is 298.12 g/mol.
Where can I buy O,O-DI(1,3-Dimethylbutyl)dithiophosphate?
You can request a quote for O,O-DI(1,3-Dimethylbutyl)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-DI(1,3-Dimethylbutyl)dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O,O-DI(1,3-Dimethylbutyl)dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.