Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester (CAS 953-32-2) is a chemical compound with molecular formula C11H17O2PS2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-(p-tolyl) phosphorodithioate, Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester, O,O-diethyl S-p-tolyl phosphorodithioate, 4-06-00-02208 (Beilstein Handbook Reference), diethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-
| Molecular Formula | C11H17O2PS2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.04077 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 953-32-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1=CC=C(C=C1)C |
| InChIKey | QLCGYBKCWYULKB-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester (CAS 953-32-2), with molecular formula C11H17O2PS2 and molecular weight 276.04 g/mol. IUPAC: diethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester
The XLogP value of 4.3 indicates that Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) 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-(p-tolyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) 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-(p-tolyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester is 953-32-2.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester is C11H17O2PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester is 276.04 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) 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-(p-tolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-(p-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.