Ethyl 2-thienylacetate
TL;DR: Ethyl 2-thienylacetate (CAS 57382-97-5) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-thiophen-2-ylacetate
Also Known As: Ethyl 2-thiopheneacetate, Ethyl 2-thienylacetate, ethyl 2-(thiophen-2-yl)acetate, Ethyl, ethyl 2-thiophen-2-ylacetate
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 57382-97-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CS1 |
| InChIKey | QSUANHXENVRFDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-thienylacetate (CAS 57382-97-5), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: ethyl 2-thiophen-2-ylacetate.
Chemical Property Profile of Ethyl 2-thienylacetate
Property Insights of Ethyl 2-thienylacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-thienylacetate. With a topological polar surface area (TPSA) of 54.5 Ų, Ethyl 2-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-thienylacetate 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-thienylacetate?
The CAS number of Ethyl 2-thienylacetate is 57382-97-5.
What is the molecular formula of Ethyl 2-thienylacetate?
The molecular formula of Ethyl 2-thienylacetate is C8H10O2S.
What is the molecular weight of Ethyl 2-thienylacetate?
The molecular weight of Ethyl 2-thienylacetate is 170.04 g/mol.
Where can I buy Ethyl 2-thienylacetate?
You can request a quote for Ethyl 2-thienylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-thienylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.