S-Methyl O-propyl ethylphosphonothioate
TL;DR: S-Methyl O-propyl ethylphosphonothioate (CAS 90220-17-0) is a chemical compound with molecular formula C6H15O2PS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(methylsulfanyl)phosphoryl]oxypropane
Also Known As: S-methyl O-propyl ethylphosphonothioate, Ethylphosphonothioic acid S-methyl O-propyl ester, 1-[ethyl(methylsulfanyl)phosphoryl]oxypropane, Phosphonothioic acid, ethyl-, S-methyl O-propyl ester, J3.198.241C
| Molecular Formula | C6H15O2PS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.05304 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 90220-17-0 |
|---|---|
| SMILES | CCCOP(=O)(CC)SC |
| InChIKey | DNXGLDFHWXLWFN-UHFFFAOYSA-N |
Product Overview
S-Methyl O-propyl ethylphosphonothioate (CAS 90220-17-0), with molecular formula C6H15O2PS and molecular weight 182.05 g/mol. IUPAC: 1-[ethyl(methylsulfanyl)phosphoryl]oxypropane.
Chemical Property Profile of S-Methyl O-propyl ethylphosphonothioate
Property Insights of S-Methyl O-propyl ethylphosphonothioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl O-propyl ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, S-Methyl O-propyl ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl O-propyl 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-Methyl O-propyl ethylphosphonothioate?
The CAS number of S-Methyl O-propyl ethylphosphonothioate is 90220-17-0.
What is the molecular formula of S-Methyl O-propyl ethylphosphonothioate?
The molecular formula of S-Methyl O-propyl ethylphosphonothioate is C6H15O2PS.
What is the molecular weight of S-Methyl O-propyl ethylphosphonothioate?
The molecular weight of S-Methyl O-propyl ethylphosphonothioate is 182.05 g/mol.
Where can I buy S-Methyl O-propyl ethylphosphonothioate?
You can request a quote for S-Methyl O-propyl ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl O-propyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl O-propyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.