O-Butyl S-methyl ethylphosphonothioate
TL;DR: O-Butyl S-methyl ethylphosphonothioate (CAS 90220-18-1) is a chemical compound with molecular formula C7H17O2PS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(methylsulfanyl)phosphoryl]oxybutane
Also Known As: Ethylphosphonothioic acid O-butyl S-methyl ester, O-Butyl S-methyl ethylphosphonothioate, 1-[ethyl(methylsulfanyl)phosphoryl]oxybutane, Phosphonothioic acid, ethyl-, O-butyl S-methyl ester, RefChem:1093627
| Molecular Formula | C7H17O2PS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.0687 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 90220-18-1 |
|---|---|
| SMILES | CCCCOP(=O)(CC)SC |
| InChIKey | FZJVVHXAMDUDCB-UHFFFAOYSA-N |
Product Overview
O-Butyl S-methyl ethylphosphonothioate (CAS 90220-18-1), with molecular formula C7H17O2PS and molecular weight 196.07 g/mol. IUPAC: 1-[ethyl(methylsulfanyl)phosphoryl]oxybutane.
Chemical Property Profile of O-Butyl S-methyl ethylphosphonothioate
Property Insights of O-Butyl S-methyl ethylphosphonothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butyl S-methyl ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, O-Butyl S-methyl ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butyl S-methyl 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 O-Butyl S-methyl ethylphosphonothioate?
The CAS number of O-Butyl S-methyl ethylphosphonothioate is 90220-18-1.
What is the molecular formula of O-Butyl S-methyl ethylphosphonothioate?
The molecular formula of O-Butyl S-methyl ethylphosphonothioate is C7H17O2PS.
What is the molecular weight of O-Butyl S-methyl ethylphosphonothioate?
The molecular weight of O-Butyl S-methyl ethylphosphonothioate is 196.07 g/mol.
Where can I buy O-Butyl S-methyl ethylphosphonothioate?
You can request a quote for O-Butyl S-methyl ethylphosphonothioate 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-methyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl S-methyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.