Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester (CAS 21099-04-7) is a chemical compound with molecular formula C12H15O2PS2 and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(2-phenylethynylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-(phenylethynyl) phosphorodithioate, Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester, O,O-Diethyl S-phenylethynyl phosphorodithioate, diethoxy-(2-phenylethynylsulfanyl)-sulfanylidene-, O,O-Diethyl-S-phenyl-ethinyl-phosphordithioester
| Molecular Formula | C12H15O2PS2 |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.02512 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 21099-04-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC#CC1=CC=CC=C1 |
| InChIKey | VEJDOFOWOWAMCE-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester (CAS 21099-04-7), with molecular formula C12H15O2PS2 and molecular weight 286.03 g/mol. IUPAC: diethoxy-(2-phenylethynylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester
The XLogP value of 4.5 indicates that Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester 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 Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester 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 Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester is 21099-04-7.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester is C12H15O2PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester is 286.03 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) 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, O,O-diethyl S-(phenylethynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-(phenylethynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.