![Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester structure](/static/products/3853/385398-71-0.webp)
Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester
TL;DR: Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester (CAS 385398-71-0) 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-4-ylethyl) ethanethioate
Also Known As: 4-PYRIDYLETHYL THIOLACETATE, S-(2-pyridin-4-ylethyl) ethanethioate, S-[2-(4-Pyridinyl)ethyl] ethanethioate, S-[2-(4-pyridyl)ethyl] ethanethioate, Ethanethioic acid, S-(2-(4-pyridinyl)ethyl) ester
| 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 | 385398-71-0 |
|---|---|
| SMILES | CC(=O)SCCC1=CC=NC=C1 |
Product Overview
Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester (CAS 385398-71-0), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-(2-pyridin-4-ylethyl) ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester
Property Insights of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester
The XLogP value of 1.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester. With a topological polar surface area (TPSA) of 29.96 Ų, Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester 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 Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester?
The CAS number of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester is 385398-71-0.
What is the molecular formula of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester?
The molecular formula of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester is C9H11NOS.
What is the molecular weight of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester?
The molecular weight of Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester is 181.06 g/mol.
Where can I buy Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester?
You can request a quote for Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.