Phenyl phosphorodichloridothionate
TL;DR: Phenyl phosphorodichloridothionate (CAS 6870-94-6) is a chemical compound with molecular formula C6H5Cl2OPS and molecular weight 225.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dichloro-phenoxy-sulfanylidene-λ5-phosphane
Also Known As: O-phenyl dichloridothiophosphate, O-phenyl phosphorodichloridothioate, AURORA KA-1633, Dichlorophenoxysulfanylidene phosphorane, dichloro-phenoxy-sulfanylidene-
| Molecular Formula | C6H5Cl2OPS |
|---|---|
| Molecular Weight | 225.92 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.91757 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 6870-94-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=S)(Cl)Cl |
| InChIKey | ODPZLWXUWFTSEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl phosphorodichloridothionate (CAS 6870-94-6), with molecular formula C6H5Cl2OPS and molecular weight 225.92 g/mol. IUPAC: dichloro-phenoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phenyl phosphorodichloridothionate
Property Insights of Phenyl phosphorodichloridothionate
The XLogP value of 4.5 indicates that Phenyl phosphorodichloridothionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Phenyl phosphorodichloridothionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl phosphorodichloridothionate has 0 hydrogen bond donor(s) and 2 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 Phenyl phosphorodichloridothionate?
The CAS number of Phenyl phosphorodichloridothionate is 6870-94-6.
What is the molecular formula of Phenyl phosphorodichloridothionate?
The molecular formula of Phenyl phosphorodichloridothionate is C6H5Cl2OPS.
What is the molecular weight of Phenyl phosphorodichloridothionate?
The molecular weight of Phenyl phosphorodichloridothionate is 225.92 g/mol.
Where can I buy Phenyl phosphorodichloridothionate?
You can request a quote for Phenyl phosphorodichloridothionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl phosphorodichloridothionate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl phosphorodichloridothionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.