O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate
TL;DR: O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate (CAS 21055-68-5) is a chemical compound with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxybutane
Also Known As: O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate, 1-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxybutane, 1-(2-ethylsulfanylethylsulfanyl-methyl-phosphoryl)oxybutane, O-Butyl S-[2-(ethylsulfanyl)ethyl] methylphosphonothioate, Phosphonothioic acid,methyl-, O-butyl S-[2-(ethylthio)ethyl] ester (7CI,8CI,9CI)
| Molecular Formula | C9H21O2PS2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 256.07205 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 21055-68-5 |
|---|---|
| SMILES | CCCCOP(=O)(C)SCCSCC |
| InChIKey | CKAVEHLLFQFZSH-UHFFFAOYSA-N |
Product Overview
O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate (CAS 21055-68-5), with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol. IUPAC: 1-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxybutane.
Chemical Property Profile of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate
Property Insights of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate. Following Lipinski's Rule of Five, O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate has 0 hydrogen bond donor(s) and 4 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-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate?
The CAS number of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate is 21055-68-5.
What is the molecular formula of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate?
The molecular formula of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate is C9H21O2PS2.
What is the molecular weight of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate?
The molecular weight of O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate is 256.07 g/mol.
Where can I buy O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate?
You can request a quote for O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl S-(2-(ethylthio)ethyl) methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.