Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate
TL;DR: Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate (CAS 3052-62-8) is a chemical compound with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(diethylcarbamothioylsulfanyl)acetate
Also Known As: Ethyl [(diethylcarbamothioyl)sulfanyl]acetate, ethyl 2-(diethylcarbamothioylsulfanyl)acetate, Ethyl 2-(diethylthiocarbamoylsulfanyl)acetate, Ethyl 2-[[(diethylamino)thioxomethyl]thio]acetate, [(Diethylthiocarbamoyl)thio]acetic acid ethyl ester
| Molecular Formula | C9H17NO2S2 |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.9094 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.07007 |
| Heavy Atoms | 14 |
| Complexity | 193.25098 |
Chemical Identifiers
| CAS Number | 3052-62-8 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)OCC |
Product Overview
Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate (CAS 3052-62-8), with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol. IUPAC: ethyl 2-(diethylcarbamothioylsulfanyl)acetate.
Chemical Property Profile of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate
Property Insights of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate
The XLogP value of 1.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate has 0 hydrogen bond donor(s) and 4 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-(((diethylamino)thioxomethyl)thio)acetate?
The CAS number of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate is 3052-62-8.
What is the molecular formula of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate?
The molecular formula of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate is C9H17NO2S2.
What is the molecular weight of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate?
The molecular weight of Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate is 235.07 g/mol.
Where can I buy Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate?
You can request a quote for Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((diethylamino)thioxomethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.