Ethyl ethanimidothioate
TL;DR: Ethyl ethanimidothioate (CAS 3613-29-4) is a chemical compound with molecular formula C4H9NS and molecular weight 103.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl ethanimidothioate
Also Known As: ethyl ethanimidothioate, 1-(Ethylthio)ethaneimine, thioacetimidic acid ethyl ester, 1-(ethylsulfanyl)ethan-1-imine, J3.194.844D
| Molecular Formula | C4H9NS |
|---|---|
| Molecular Weight | 103.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.04557 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 3613-29-4 |
|---|---|
| SMILES | CCSC(=N)C |
| InChIKey | FMWBLHIAPXJSOQ-UHFFFAOYSA-N |
Product Overview
Ethyl ethanimidothioate (CAS 3613-29-4), with molecular formula C4H9NS and molecular weight 103.05 g/mol. IUPAC: ethyl ethanimidothioate.
Chemical Property Profile of Ethyl ethanimidothioate
Property Insights of Ethyl ethanimidothioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ethanimidothioate. With a topological polar surface area (TPSA) of 49.2 Ų, Ethyl ethanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ethanimidothioate has 1 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 Ethyl ethanimidothioate?
The CAS number of Ethyl ethanimidothioate is 3613-29-4.
What is the molecular formula of Ethyl ethanimidothioate?
The molecular formula of Ethyl ethanimidothioate is C4H9NS.
What is the molecular weight of Ethyl ethanimidothioate?
The molecular weight of Ethyl ethanimidothioate is 103.05 g/mol.
Where can I buy Ethyl ethanimidothioate?
You can request a quote for Ethyl ethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.