Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester
TL;DR: Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester (CAS 51162-51-7) is a chemical compound with molecular formula C5H12ClO2PS and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro-ethoxy-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O-Ethyl O-isopropyl phosphorochloridothioate, Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester, chloro-ethoxy-propan-2-yloxy-sulfanylidene-, O-ethyl O-propan-2-yl chlorophosphonothioate, J1.532.482A
| Molecular Formula | C5H12ClO2PS |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.99841 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 51162-51-7 |
|---|---|
| SMILES | CCOP(=S)(OC(C)C)Cl |
| InChIKey | YFCPDTHWTNVJIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester (CAS 51162-51-7), with molecular formula C5H12ClO2PS and molecular weight 202.00 g/mol. IUPAC: chloro-ethoxy-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester
Property Insights of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester
The XLogP value of 3.1 indicates that Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester 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 Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester?
The CAS number of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester is 51162-51-7.
What is the molecular formula of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester?
The molecular formula of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester is C5H12ClO2PS.
What is the molecular weight of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester?
The molecular weight of Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester is 202.00 g/mol.
Where can I buy Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester?
You can request a quote for Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorochloridothioic acid, O-ethyl O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.