Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester
TL;DR: Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester (CAS 18722-80-0) is a chemical compound with molecular formula C9H13O2PS3 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(phenylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: Geigy G-30492, ENT 25,594, AI3-25594, Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester, o,o-dimethyl s-[(phenylsulfanyl)methyl] phosphorodithioate
| Molecular Formula | C9H13O2PS3 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.98154 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 18722-80-0 |
|---|---|
| SMILES | COP(=S)(OC)SCSC1=CC=CC=C1 |
| InChIKey | REKAQZOUNOBYJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester (CAS 18722-80-0), with molecular formula C9H13O2PS3 and molecular weight 279.98 g/mol. IUPAC: dimethoxy-(phenylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester
Property Insights of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester
The XLogP value of 4.2 indicates that Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) 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-dimethyl S-((phenylthio)-methyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) 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-dimethyl S-((phenylthio)-methyl) ester?
The CAS number of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester is 18722-80-0.
What is the molecular formula of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester is C9H13O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester is 279.98 g/mol.
Where can I buy Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) 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-dimethyl S-((phenylthio)-methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.