Ethyl 2-(Benzylsulfanyl)acetate
TL;DR: Ethyl 2-(Benzylsulfanyl)acetate (CAS 2899-67-4) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylsulfanylacetate
Also Known As: Ethyl 2-(Benzylsulfanyl)acetate, Ethyl 2-benzylsulfanylacetate, ethyl (benzylthio)acetate, Ethyl-2-(benzylthio)acetate, Ethyl (benzylsulfanyl)acetate
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.4829 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 271.87582 |
Chemical Identifiers
| CAS Number | 2899-67-4 |
|---|---|
| SMILES | CCOC(=O)CSCC1=CC=CC=C1 |
Product Overview
Ethyl 2-(Benzylsulfanyl)acetate (CAS 2899-67-4), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: ethyl 2-benzylsulfanylacetate.
Chemical Property Profile of Ethyl 2-(Benzylsulfanyl)acetate
Property Insights of Ethyl 2-(Benzylsulfanyl)acetate
The XLogP value of 2.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(Benzylsulfanyl)acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(Benzylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(Benzylsulfanyl)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 2-(Benzylsulfanyl)acetate?
The CAS number of Ethyl 2-(Benzylsulfanyl)acetate is 2899-67-4.
What is the molecular formula of Ethyl 2-(Benzylsulfanyl)acetate?
The molecular formula of Ethyl 2-(Benzylsulfanyl)acetate is C11H14O2S.
What is the molecular weight of Ethyl 2-(Benzylsulfanyl)acetate?
The molecular weight of Ethyl 2-(Benzylsulfanyl)acetate is 210.07 g/mol.
Where can I buy Ethyl 2-(Benzylsulfanyl)acetate?
You can request a quote for Ethyl 2-(Benzylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(Benzylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(Benzylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.