Ethiolate
TL;DR: Ethiolate (CAS 2941-55-1) is a chemical compound with molecular formula C7H15NOS and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N,N-diethylcarbamothioate
Also Known As: Ethiolate, Etirox, Ethiolat, Ethiolate [ISO], S-Ethyl diethylthiocarbamate
| Molecular Formula | C7H15NOS |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.08743 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 2941-55-1 |
|---|---|
| SMILES | CCN(CC)C(=O)SCC |
| InChIKey | WARIWGPBHKPYON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethiolate (CAS 2941-55-1), with molecular formula C7H15NOS and molecular weight 161.09 g/mol. IUPAC: S-ethyl N,N-diethylcarbamothioate.
Chemical Property Profile of Ethiolate
Property Insights of Ethiolate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethiolate. With a topological polar surface area (TPSA) of 45.6 Ų, Ethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethiolate has 0 hydrogen bond donor(s) and 2 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 Ethiolate?
The CAS number of Ethiolate is 2941-55-1.
What is the molecular formula of Ethiolate?
The molecular formula of Ethiolate is C7H15NOS.
What is the molecular weight of Ethiolate?
The molecular weight of Ethiolate is 161.09 g/mol.
Where can I buy Ethiolate?
You can request a quote for Ethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethiolate?
Yes, KEHONG BIO provides custom synthesis services for Ethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.