Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester (CAS 87709-12-4) is a chemical compound with molecular formula C11H21O3PS2 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-diethoxyphosphorylsulfanylprop-2-ynylsulfanyl)butane
Also Known As: Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester, 1-(3-diethoxyphosphorylsulfanylprop-2-ynylsulfanyl)butane, S-[3-(Butylsulfanyl)prop-1-yn-1-yl] O,O-diethyl phosphorothioate
| Molecular Formula | C11H21O3PS2 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.067 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 87709-12-4 |
|---|---|
| SMILES | CCCCSCC#CSP(=O)(OCC)OCC |
| InChIKey | DRWYTPALSWFGTK-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester (CAS 87709-12-4), with molecular formula C11H21O3PS2 and molecular weight 296.07 g/mol. IUPAC: 1-(3-diethoxyphosphorylsulfanylprop-2-ynylsulfanyl)butane.
Chemical Property Profile of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) 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 Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester is 87709-12-4.
What is the molecular formula of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester is C11H21O3PS2.
What is the molecular weight of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester is 296.07 g/mol.
Where can I buy Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) 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 Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(3-(butylthio)-1-propynyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.