Ethyl 4-thiomethylbenzoylformate
TL;DR: Ethyl 4-thiomethylbenzoylformate (CAS 62936-31-6) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-methylsulfanylphenyl)-2-oxoacetate
Also Known As: Ethyl 4-thiomethylbenzoylformate, Ethyl 2-(4-(methylthio)phenyl)-2-oxoacetate, Ethyl4-thiomethylbenzoylformate, ethyl 2-(4-methylsulfanylphenyl)-2-oxoacetate, Ethyl 4-(methylthio)benzoylformate
Technical Specifications
| Molecular Formula | C11H12O3S |
| Molecular Weight | 224.05072 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.05072 Da |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)SC |
| InChIKey | AAVSFTKDXIEMEI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-thiomethylbenzoylformate
Property Insights of Ethyl 4-thiomethylbenzoylformate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-thiomethylbenzoylformate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-thiomethylbenzoylformate. Following Lipinski's Rule of Five, Ethyl 4-thiomethylbenzoylformate 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
What is the CAS number of Ethyl 4-thiomethylbenzoylformate?
The CAS number of Ethyl 4-thiomethylbenzoylformate is 62936-31-6.
What is the molecular formula of Ethyl 4-thiomethylbenzoylformate?
The molecular formula of Ethyl 4-thiomethylbenzoylformate is C11H12O3S.
What is the molecular weight of Ethyl 4-thiomethylbenzoylformate?
The molecular weight of Ethyl 4-thiomethylbenzoylformate is 224.05072 g/mol.
Where can I buy Ethyl 4-thiomethylbenzoylformate?
You can request a quote for Ethyl 4-thiomethylbenzoylformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-thiomethylbenzoylformate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-thiomethylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.