S-Benzyl O,O-diethyl phosphorodithioate
TL;DR: S-Benzyl O,O-diethyl phosphorodithioate (CAS 13286-37-8) is a chemical compound with molecular formula C11H17O2PS2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: S-Benzyl O,O-diethyl phosphorodithioate, benzylsulfanyl-diethoxy-sulfanylidene-, O,O-diethyl S-benzyl phosphorodithioate, S-Benzyl-O,O-diethyl-phosphordithioester, O,O-diethyl (benzylsulfanyl)phosphonothioate
| Molecular Formula | C11H17O2PS2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.04077 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 13286-37-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=CC=CC=C1 |
| InChIKey | LDYLVLLDIQXZFR-UHFFFAOYSA-N |
Product Overview
S-Benzyl O,O-diethyl phosphorodithioate (CAS 13286-37-8), with molecular formula C11H17O2PS2 and molecular weight 276.04 g/mol. IUPAC: benzylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-Benzyl O,O-diethyl phosphorodithioate
Property Insights of S-Benzyl O,O-diethyl phosphorodithioate
The XLogP value of 3.9 indicates that S-Benzyl O,O-diethyl 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,O-diethyl phosphorodithioate. Following Lipinski's Rule of Five, S-Benzyl O,O-diethyl 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,O-diethyl phosphorodithioate?
The CAS number of S-Benzyl O,O-diethyl phosphorodithioate is 13286-37-8.
What is the molecular formula of S-Benzyl O,O-diethyl phosphorodithioate?
The molecular formula of S-Benzyl O,O-diethyl phosphorodithioate is C11H17O2PS2.
What is the molecular weight of S-Benzyl O,O-diethyl phosphorodithioate?
The molecular weight of S-Benzyl O,O-diethyl phosphorodithioate is 276.04 g/mol.
Where can I buy S-Benzyl O,O-diethyl phosphorodithioate?
You can request a quote for S-Benzyl O,O-diethyl 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,O-diethyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl O,O-diethyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.