Ethyl 3-amino-3-sulfanylidenepropanoate
TL;DR: Ethyl 3-amino-3-sulfanylidenepropanoate (CAS 13621-50-6) is a chemical compound with molecular formula C5H9NO2S and molecular weight 147.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-sulfanylidenepropanoate
Also Known As: ethyl 3-amino-3-thioxopropanoate, ethyl 2-carbamothioylacetate, ethyl 3-amino-3-sulfanylidenepropanoate, TOS-BB-0808, ethyl 3-amino-3-thioxopropionate
| Molecular Formula | C5H9NO2S |
|---|---|
| Molecular Weight | 147.04 g/mol |
| LogP | 0.2257 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.0354 |
| Heavy Atoms | 9 |
| Complexity | 124.1264 |
Chemical Identifiers
| CAS Number | 13621-50-6 |
|---|---|
| SMILES | CCOC(=O)CC(=S)N |
Product Overview
Ethyl 3-amino-3-sulfanylidenepropanoate (CAS 13621-50-6), with molecular formula C5H9NO2S and molecular weight 147.04 g/mol. IUPAC: ethyl 3-amino-3-sulfanylidenepropanoate.
Chemical Property Profile of Ethyl 3-amino-3-sulfanylidenepropanoate
Property Insights of Ethyl 3-amino-3-sulfanylidenepropanoate
The XLogP value of 0.2257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-sulfanylidenepropanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 3-amino-3-sulfanylidenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-3-sulfanylidenepropanoate has 1 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 Ethyl 3-amino-3-sulfanylidenepropanoate?
The CAS number of Ethyl 3-amino-3-sulfanylidenepropanoate is 13621-50-6.
What is the molecular formula of Ethyl 3-amino-3-sulfanylidenepropanoate?
The molecular formula of Ethyl 3-amino-3-sulfanylidenepropanoate is C5H9NO2S.
What is the molecular weight of Ethyl 3-amino-3-sulfanylidenepropanoate?
The molecular weight of Ethyl 3-amino-3-sulfanylidenepropanoate is 147.04 g/mol.
Where can I buy Ethyl 3-amino-3-sulfanylidenepropanoate?
You can request a quote for Ethyl 3-amino-3-sulfanylidenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-3-sulfanylidenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-sulfanylidenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.