Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters
TL;DR: Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters (CAS 68516-01-8) is a chemical compound with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropoxy-pentoxy-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: o-Isobutyl o-pentyl phosphorodithioate, o-Pentyl-o'-isobutyl dithiophosphate, Dithiophosphoric acid, O,O'-isobutyl amyl esters, Phosphorodithioic acid, o-isobutyl o-pentyl ester, Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters
| Molecular Formula | C9H21O2PS2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.07205 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 68516-01-8 |
|---|---|
| SMILES | CCCCCOP(=S)(OCC(C)C)S |
| InChIKey | KEZYTBRZEHSOTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters (CAS 68516-01-8), with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol. IUPAC: 2-methylpropoxy-pentoxy-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters
Property Insights of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters
The XLogP value of 4.8 indicates that Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters 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, mixed O,O-bis(iso-Bu and pentyl) esters exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters 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, mixed O,O-bis(iso-Bu and pentyl) esters?
The CAS number of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters is 68516-01-8.
What is the molecular formula of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters?
The molecular formula of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters is C9H21O2PS2.
What is the molecular weight of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters?
The molecular weight of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters is 256.07 g/mol.
Where can I buy Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters?
You can request a quote for Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.