Ethyl (4-methylbenzylthio)acetate
TL;DR: Ethyl (4-methylbenzylthio)acetate (CAS 92595-26-1) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylphenyl)methylsulfanyl]acetate
Also Known As: ethyl (4-methylbenzylthio)acetate, Ethyl 2-[(4-methylphenyl)methylsulfanyl]acetate
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.79132 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 305.90308 |
Chemical Identifiers
| CAS Number | 92595-26-1 |
|---|---|
| SMILES | CCOC(=O)CSCC1=CC=C(C=C1)C |
Product Overview
Ethyl (4-methylbenzylthio)acetate (CAS 92595-26-1), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: ethyl 2-[(4-methylphenyl)methylsulfanyl]acetate.
Chemical Property Profile of Ethyl (4-methylbenzylthio)acetate
Property Insights of Ethyl (4-methylbenzylthio)acetate
The XLogP value of 2.79132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-methylbenzylthio)acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (4-methylbenzylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-methylbenzylthio)acetate 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 Ethyl (4-methylbenzylthio)acetate?
The CAS number of Ethyl (4-methylbenzylthio)acetate is 92595-26-1.
What is the molecular formula of Ethyl (4-methylbenzylthio)acetate?
The molecular formula of Ethyl (4-methylbenzylthio)acetate is C12H16O2S.
What is the molecular weight of Ethyl (4-methylbenzylthio)acetate?
The molecular weight of Ethyl (4-methylbenzylthio)acetate is 224.09 g/mol.
Where can I buy Ethyl (4-methylbenzylthio)acetate?
You can request a quote for Ethyl (4-methylbenzylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-methylbenzylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-methylbenzylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.