Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester
TL;DR: Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester (CAS 35335-60-5) is a chemical compound with molecular formula C10H16NOPS2 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[amino(ethyl)phosphinothioyl]oxy-2-methyl-1-methylsulfanylbenzene
Also Known As: BAY hol 0574, Ethylphosphonamidothionic acid 4-(methylthio)-m-tolyl ester, Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester, 4-[amino(ethyl)phosphinothioyl]oxy-2-methyl-1-methylsulfanylbenzene, O-[3-Methyl-4-(methylsulfanyl)phenyl] P-ethylphosphonamidothioate
| Molecular Formula | C10H16NOPS2 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0411 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 35335-60-5 |
|---|---|
| SMILES | CCP(=S)(N)OC1=CC(=C(C=C1)SC)C |
| InChIKey | LIIJBBWJAXDFKA-UHFFFAOYSA-N |
Product Overview
Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester (CAS 35335-60-5), with molecular formula C10H16NOPS2 and molecular weight 261.04 g/mol. IUPAC: 4-[amino(ethyl)phosphinothioyl]oxy-2-methyl-1-methylsulfanylbenzene.
Chemical Property Profile of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester
Property Insights of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester
The XLogP value of 3.6 indicates that Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester. Following Lipinski's Rule of Five, Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester has 1 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 Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester?
The CAS number of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester is 35335-60-5.
What is the molecular formula of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester?
The molecular formula of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester is C10H16NOPS2.
What is the molecular weight of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester?
The molecular weight of Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester is 261.04 g/mol.
Where can I buy Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester?
You can request a quote for Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonamidothioic acid, ethyl-, 4-(methylthio)-m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.