S-(tert-Butyl) O,O-diethyl dithiophosphate
TL;DR: S-(tert-Butyl) O,O-diethyl dithiophosphate (CAS 66427-05-2) is a chemical compound with molecular formula C8H19O2PS2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: S-(tert-Butyl) O,O-diethyl dithiophosphate, tert-butylsulfanyl-diethoxy-sulfanylidene-, S-tert-Butyl O,O-diethyl phosphorodithioate, tert-butylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane, tert-butylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
| Molecular Formula | C8H19O2PS2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.05641 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 66427-05-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC(C)(C)C |
| InChIKey | WUROXSWCYUHFNK-UHFFFAOYSA-N |
Product Overview
S-(tert-Butyl) O,O-diethyl dithiophosphate (CAS 66427-05-2), with molecular formula C8H19O2PS2 and molecular weight 242.06 g/mol. IUPAC: tert-butylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-(tert-Butyl) O,O-diethyl dithiophosphate
Property Insights of S-(tert-Butyl) O,O-diethyl dithiophosphate
The XLogP value of 3.4 indicates that S-(tert-Butyl) O,O-diethyl dithiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(tert-Butyl) O,O-diethyl dithiophosphate. Following Lipinski's Rule of Five, S-(tert-Butyl) O,O-diethyl dithiophosphate has 0 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 S-(tert-Butyl) O,O-diethyl dithiophosphate?
The CAS number of S-(tert-Butyl) O,O-diethyl dithiophosphate is 66427-05-2.
What is the molecular formula of S-(tert-Butyl) O,O-diethyl dithiophosphate?
The molecular formula of S-(tert-Butyl) O,O-diethyl dithiophosphate is C8H19O2PS2.
What is the molecular weight of S-(tert-Butyl) O,O-diethyl dithiophosphate?
The molecular weight of S-(tert-Butyl) O,O-diethyl dithiophosphate is 242.06 g/mol.
Where can I buy S-(tert-Butyl) O,O-diethyl dithiophosphate?
You can request a quote for S-(tert-Butyl) O,O-diethyl dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(tert-Butyl) O,O-diethyl dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for S-(tert-Butyl) O,O-diethyl dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.