S-Benzyl O-butyl O-ethyl phosphorodithioate
TL;DR: S-Benzyl O-butyl O-ethyl phosphorodithioate (CAS 23760-23-8) is a chemical compound with molecular formula C13H21O2PS2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylsulfanyl-butoxy-ethoxy-sulfanylidene-λ5-phosphane
Also Known As: S-Benzyl O-butyl O-ethyl phosphorodithioate, benzylsulfanyl-butoxy-ethoxy-sulfanylidene-, Phosphorodithioic acid, S-benzyl O-butyl O-ethyl ester
| Molecular Formula | C13H21O2PS2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 304.07205 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 23760-23-8 |
|---|---|
| SMILES | CCCCOP(=S)(OCC)SCC1=CC=CC=C1 |
| InChIKey | ZKWHPSCGGGAXOV-UHFFFAOYSA-N |
Product Overview
S-Benzyl O-butyl O-ethyl phosphorodithioate (CAS 23760-23-8), with molecular formula C13H21O2PS2 and molecular weight 304.07 g/mol. IUPAC: benzylsulfanyl-butoxy-ethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-Benzyl O-butyl O-ethyl phosphorodithioate
Property Insights of S-Benzyl O-butyl O-ethyl phosphorodithioate
The XLogP value of 4.7 indicates that S-Benzyl O-butyl O-ethyl phosphorodithioate 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-Benzyl O-butyl O-ethyl phosphorodithioate. Following Lipinski's Rule of Five, S-Benzyl O-butyl O-ethyl phosphorodithioate 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-Benzyl O-butyl O-ethyl phosphorodithioate?
The CAS number of S-Benzyl O-butyl O-ethyl phosphorodithioate is 23760-23-8.
What is the molecular formula of S-Benzyl O-butyl O-ethyl phosphorodithioate?
The molecular formula of S-Benzyl O-butyl O-ethyl phosphorodithioate is C13H21O2PS2.
What is the molecular weight of S-Benzyl O-butyl O-ethyl phosphorodithioate?
The molecular weight of S-Benzyl O-butyl O-ethyl phosphorodithioate is 304.07 g/mol.
Where can I buy S-Benzyl O-butyl O-ethyl phosphorodithioate?
You can request a quote for S-Benzyl O-butyl O-ethyl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl O-butyl O-ethyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl O-butyl O-ethyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.