O,O-diethyl phosphorochloridothioate
TL;DR: O,O-diethyl phosphorochloridothioate (CAS 2524-04-1) is a chemical compound with molecular formula C4H10ClO2PS and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Diethyl chlorothiophosphate, O,O-Diethyl chlorothiophosphate, Ethyl PCT, Diethylchlorthiofosfat, Diethoxythiophosphoryl chloride
| Molecular Formula | C4H10ClO2PS |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.98277 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
| Boiling Point | 49 °C BELOW 1 MM HG; FP: BELOW -75 °C |
| Density | 1.196 AT 25 °C/25 °C |
| Solubility | INSOL IN WATER; SOL IN MOST ORG SOLVENTS |
| Flash Point | 92 °C c.c. |
| Vapor Pressure | Vapor pressure, Pa at 50 °C: 190 |
| Refractive Index | 1.4705 AT 25 °C |
Chemical Identifiers
| CAS Number | 2524-04-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)Cl |
| InChIKey | KMJJJTCKNZYTEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-diethyl phosphorochloridothioate (CAS 2524-04-1), with molecular formula C4H10ClO2PS and molecular weight 187.98 g/mol. IUPAC: chloro-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-diethyl phosphorochloridothioate
Property Insights of O,O-diethyl phosphorochloridothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-diethyl phosphorochloridothioate. With a topological polar surface area (TPSA) of 50.6 Ų, O,O-diethyl phosphorochloridothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-diethyl phosphorochloridothioate has 0 hydrogen bond donor(s) and 3 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 O,O-diethyl phosphorochloridothioate?
The CAS number of O,O-diethyl phosphorochloridothioate is 2524-04-1.
What is the molecular formula of O,O-diethyl phosphorochloridothioate?
The molecular formula of O,O-diethyl phosphorochloridothioate is C4H10ClO2PS.
What is the molecular weight of O,O-diethyl phosphorochloridothioate?
The molecular weight of O,O-diethyl phosphorochloridothioate is 187.98 g/mol.
Where can I buy O,O-diethyl phosphorochloridothioate?
You can request a quote for O,O-diethyl phosphorochloridothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-diethyl phosphorochloridothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-diethyl phosphorochloridothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.