Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester
TL;DR: Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester (CAS 4799-59-1) is a chemical compound with molecular formula C12H19O4PS and molecular weight 290.07416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (3-methyl-4-methylsulfanylphenyl) phosphate
Also Known As: Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester, diethyl 3-methyl-4-(methylsulfanyl)phenyl phosphate, O,O-DIET-O-(3-ME-4-SMEPH)P=O, O,O-Diethyl O-(4-(methylthio)-m-tolyl)phosphate, J1.586.928C
Technical Specifications
| Molecular Formula | C12H19O4PS |
| Molecular Weight | 290.07416 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.07416 Da |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| SMILES | CCOP(=O)(OCC)OC1=CC(=C(C=C1)SC)C |
| InChIKey | UAOUVRJFXPPTHR-UHFFFAOYSA-N |
Chemical Property Profile of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester
Property Insights of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester
The XLogP value of 3.3 indicates that Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester. Following Lipinski's Rule of Five, Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester?
The CAS number of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester is 4799-59-1.
What is the molecular formula of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester?
The molecular formula of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester is C12H19O4PS.
What is the molecular weight of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester?
The molecular weight of Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester is 290.07416 g/mol.
Where can I buy Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester?
You can request a quote for Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.