Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester (CAS 87764-86-1) is a chemical compound with molecular formula C9H17O2PS3 and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester, diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-sulfanylidene-, O,O-Diethyl S-[3-(ethylsulfanyl)prop-1-yn-1-yl] phosphorodithioate
| Molecular Formula | C9H17O2PS3 |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.01282 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 87764-86-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC#CCSCC |
| InChIKey | VZXRKHRDOHKNDE-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester (CAS 87764-86-1), with molecular formula C9H17O2PS3 and molecular weight 284.01 g/mol. IUPAC: diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester
The XLogP value of 3.7 indicates that Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) 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, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) 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, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester is 87764-86-1.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester is C9H17O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester is 284.01 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) 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-(3-(ethylthio)-1-propynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-(3-(ethylthio)-1-propynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.