Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester (CAS 3309-78-2) is a chemical compound with molecular formula C7H13O3PS and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diethoxyphosphorylsulfanylprop-1-yne
Also Known As: Monsanto CP-11549, Ethyl 2-propynyl phosphorothioate, diethyl S-propargyl thiophosphate, O,O-Diethyl S-(2-propynyl)phosphorothioate, o,o-diethyl s-prop-2-yn-1-yl phosphorothioate
| Molecular Formula | C7H13O3PS |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.0323 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 3309-78-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC#C |
| InChIKey | YWNBQUFJHSECNB-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester (CAS 3309-78-2), with molecular formula C7H13O3PS and molecular weight 208.03 g/mol. IUPAC: 3-diethoxyphosphorylsulfanylprop-1-yne.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl 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-2-propyn-1-yl ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester is 3309-78-2.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester is C7H13O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester is 208.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl 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-2-propyn-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-2-propyn-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.