O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate
TL;DR: O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate (CAS 72906-10-6) is a chemical compound with molecular formula C14H31O2PS2 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-methylhexoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, O,O-di-C7-10-isoalkyl esters, bis(5-methylhexoxy)-sulfanyl-sulfanylidene-, O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate
| Molecular Formula | C14H31O2PS2 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 5.8265 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 326.1503 |
| Heavy Atoms | 19 |
| Complexity | 235.83052 |
Chemical Identifiers
| CAS Number | 72906-10-6 |
|---|---|
| SMILES | CC(C)CCCCOP(=S)(OCCCCC(C)C)S |
Product Overview
O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate (CAS 72906-10-6), with molecular formula C14H31O2PS2 and molecular weight 326.15 g/mol. IUPAC: bis(5-methylhexoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate
Property Insights of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate
The XLogP value of 5.8265 indicates that O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate has 1 hydrogen bond donor(s) and 3 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-Bis(5-methylhexyl) hydrogen phosphorodithioate?
The CAS number of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate is 72906-10-6.
What is the molecular formula of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate?
The molecular formula of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate is C14H31O2PS2.
What is the molecular weight of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate?
The molecular weight of O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate is 326.15 g/mol.
Where can I buy O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate?
You can request a quote for O,O-Bis(5-methylhexyl) 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,O-Bis(5-methylhexyl) hydrogen phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(5-methylhexyl) hydrogen phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.