Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester
TL;DR: Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester (CAS 25923-97-1) is a chemical compound with molecular formula C12H19O2PS3 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Geigy G-33445, ENT 25,556-X, Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester, s-[(benzylsulfanyl)methyl] o,o-diethyl phosphorodithioate, benzylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-
| Molecular Formula | C12H19O2PS3 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.02847 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 25923-97-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCSCC1=CC=CC=C1 |
| InChIKey | REAKGZQBPMRQGU-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester (CAS 25923-97-1), with molecular formula C12H19O2PS3 and molecular weight 322.03 g/mol. IUPAC: benzylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester
Property Insights of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester
The XLogP value of 4.7 indicates that Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester?
The CAS number of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester is 25923-97-1.
What is the molecular formula of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester?
The molecular formula of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester is C12H19O2PS3.
What is the molecular weight of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester?
The molecular weight of Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester is 322.03 g/mol.
Where can I buy Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester?
You can request a quote for Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-((benzylthio)methyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.