Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester
TL;DR: Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester (CAS 72121-82-5) is a chemical compound with molecular formula C9H18Cl3O2PS3 and molecular weight 389.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutoxy-sulfanylidene-(trichloromethyldisulfanyl)-λ5-phosphane
Also Known As: Trichloromethyl (O,O-dibutylthiophosphoryl) disulfide, Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester, dibutoxy-sulfanylidene-(trichloromethyldisulfanyl)-, O,O-dibutyl [(trichloromethyl)disulfanyl]phosphonothioate, [(Trichloromethyl)dithio]thiophosphonic acid O,O-dibutyl ester
| Molecular Formula | C9H18Cl3O2PS3 |
|---|---|
| Molecular Weight | 389.93 g/mol |
| LogP | 6.5534 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 389.92722 |
| Heavy Atoms | 18 |
| Complexity | 249.93265 |
Chemical Identifiers
| CAS Number | 72121-82-5 |
|---|---|
| SMILES | CCCCOP(=S)(OCCCC)SSC(Cl)(Cl)Cl |
Product Overview
Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester (CAS 72121-82-5), with molecular formula C9H18Cl3O2PS3 and molecular weight 389.93 g/mol. IUPAC: dibutoxy-sulfanylidene-(trichloromethyldisulfanyl)-λ5-phosphane.
Chemical Property Profile of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester
Property Insights of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester
The XLogP value of 6.5534 indicates that Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester?
The CAS number of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester is 72121-82-5.
What is the molecular formula of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester?
The molecular formula of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester is C9H18Cl3O2PS3.
What is the molecular weight of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester?
The molecular weight of Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester is 389.93 g/mol.
Where can I buy Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester?
You can request a quote for Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoro(dithioperoxo)thioic acid, O,O-dibutyl SS-(trichloromethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.