O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate
TL;DR: O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate (CAS 68784-33-8) is a chemical compound with molecular formula C10H23O2PS2 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: o-hexyl o-(2-methylpropyl) hydrogen phosphorodithioate, hexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-, Phosphorodithioic acid, mixed O,O-bis(hexyl and iso-Bu) esters, Phosphorodithioic acid, O,O-(isobutyl, 1-hexyl) mixed esters, RefChem:366470
| Molecular Formula | C10H23O2PS2 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.0877 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 68784-33-8 |
|---|---|
| SMILES | CCCCCCOP(=S)(OCC(C)C)S |
| InChIKey | KFYVTYPTIZRVTM-UHFFFAOYSA-N |
Product Overview
O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate (CAS 68784-33-8), with molecular formula C10H23O2PS2 and molecular weight 270.09 g/mol. IUPAC: hexoxy-(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate
Property Insights of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate
The XLogP value of 5.3 indicates that O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate 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-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate 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-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate?
The CAS number of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate is 68784-33-8.
What is the molecular formula of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate?
The molecular formula of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate is C10H23O2PS2.
What is the molecular weight of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate?
The molecular weight of O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate is 270.09 g/mol.
Where can I buy O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate?
You can request a quote for O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Hexyl O-(2-methylpropyl) hydrogen phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.