Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester (CAS 87709-17-9) is a chemical compound with molecular formula C12H15O3PS and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanylethynylbenzene
Also Known As: 2-diethoxyphosphorylsulfanylethynylbenzene, Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester, O,O-diethyl S-phenylethynyl thiophosphate, O,O-Diethyl S-phenylethynyl phosphorothioate, RefChem:371326
| Molecular Formula | C12H15O3PS |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.04794 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 87709-17-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC#CC1=CC=CC=C1 |
| InChIKey | NYFKKIKTYLCUOL-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester (CAS 87709-17-9), with molecular formula C12H15O3PS and molecular weight 270.05 g/mol. IUPAC: 2-diethoxyphosphorylsulfanylethynylbenzene.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester. Following Lipinski's Rule of Five, Phosphorothioic 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 Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester is 87709-17-9.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester is C12H15O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester is 270.05 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester?
You can request a quote for Phosphorothioic 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 Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(phenylethynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.