![S-[2-(Pyridin-2-yl)ethyl] ethanethioate structure](/static/products/5902/59020-97-2.webp)
S-[2-(Pyridin-2-yl)ethyl] ethanethioate
TL;DR: S-[2-(Pyridin-2-yl)ethyl] ethanethioate (CAS 59020-97-2) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-pyridin-2-ylethyl) ethanethioate
Also Known As: 2-Pyridylethyl Thiolacetate, S-(2-pyridin-2-ylethyl) ethanethioate, 2-PETA, S-[2-(Pyridin-2-yl)ethyl] ethanethioate, S-2-(2-pyridyl)ethyl thioacetate
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.9038 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 247.96527 |
Chemical Identifiers
| CAS Number | 59020-97-2 |
|---|---|
| SMILES | CC(=O)SCCC1=CC=CC=N1 |
Product Overview
S-[2-(Pyridin-2-yl)ethyl] ethanethioate (CAS 59020-97-2), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-(2-pyridin-2-ylethyl) ethanethioate.
Chemical Property Profile of S-[2-(Pyridin-2-yl)ethyl] ethanethioate
Property Insights of S-[2-(Pyridin-2-yl)ethyl] ethanethioate
The XLogP value of 1.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-(Pyridin-2-yl)ethyl] ethanethioate. With a topological polar surface area (TPSA) of 29.96 Ų, S-[2-(Pyridin-2-yl)ethyl] ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[2-(Pyridin-2-yl)ethyl] ethanethioate 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 S-[2-(Pyridin-2-yl)ethyl] ethanethioate?
The CAS number of S-[2-(Pyridin-2-yl)ethyl] ethanethioate is 59020-97-2.
What is the molecular formula of S-[2-(Pyridin-2-yl)ethyl] ethanethioate?
The molecular formula of S-[2-(Pyridin-2-yl)ethyl] ethanethioate is C9H11NOS.
What is the molecular weight of S-[2-(Pyridin-2-yl)ethyl] ethanethioate?
The molecular weight of S-[2-(Pyridin-2-yl)ethyl] ethanethioate is 181.06 g/mol.
Where can I buy S-[2-(Pyridin-2-yl)ethyl] ethanethioate?
You can request a quote for S-[2-(Pyridin-2-yl)ethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(Pyridin-2-yl)ethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(Pyridin-2-yl)ethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.