S-tert-Butyl O-ethyl ethylphosphonothioate
TL;DR: S-tert-Butyl O-ethyl ethylphosphonothioate (CAS 83318-76-7) is a chemical compound with molecular formula C8H19O2PS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(ethyl)phosphoryl]sulfanyl-2-methylpropane
Also Known As: Caswell No. 528C, S-tert-Butyl O-ethyl ethylphosphonothioate, LS 81.5877, EPA Pesticide Chemical Code 128846, AI3-29686
| Molecular Formula | C8H19O2PS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.08434 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 83318-76-7 |
|---|---|
| SMILES | CCOP(=O)(CC)SC(C)(C)C |
| InChIKey | WOHOOQZHIVDEMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-tert-Butyl O-ethyl ethylphosphonothioate (CAS 83318-76-7), with molecular formula C8H19O2PS and molecular weight 210.08 g/mol. IUPAC: 2-[ethoxy(ethyl)phosphoryl]sulfanyl-2-methylpropane.
Chemical Property Profile of S-tert-Butyl O-ethyl ethylphosphonothioate
Property Insights of S-tert-Butyl O-ethyl ethylphosphonothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-Butyl O-ethyl ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, S-tert-Butyl O-ethyl ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-Butyl O-ethyl ethylphosphonothioate 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 S-tert-Butyl O-ethyl ethylphosphonothioate?
The CAS number of S-tert-Butyl O-ethyl ethylphosphonothioate is 83318-76-7.
What is the molecular formula of S-tert-Butyl O-ethyl ethylphosphonothioate?
The molecular formula of S-tert-Butyl O-ethyl ethylphosphonothioate is C8H19O2PS.
What is the molecular weight of S-tert-Butyl O-ethyl ethylphosphonothioate?
The molecular weight of S-tert-Butyl O-ethyl ethylphosphonothioate is 210.08 g/mol.
Where can I buy S-tert-Butyl O-ethyl ethylphosphonothioate?
You can request a quote for S-tert-Butyl O-ethyl ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-Butyl O-ethyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-Butyl O-ethyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.