Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate
TL;DR: Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate (CAS 306980-72-3) is a chemical compound with molecular formula C6H6N2O3S3 and molecular weight 249.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-[(5-sulfanylidene-1,2,4-dithiazol-3-yl)amino]acetate
Also Known As: 12K-562S, Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate, ethyl 2-oxo-2-[(5-sulfanylidene-1,2,4-dithiazol-3-yl)amino]acetate, ethyl [(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)carbamoyl]formate, ethyl 2-oxo-2-[(3-thioxo-3H-1,2,4-dithiazol-5-yl)amino]acetate
| Molecular Formula | C6H6N2O3S3 |
|---|---|
| Molecular Weight | 249.95 g/mol |
| LogP | 1.43569 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.95406 |
| Heavy Atoms | 14 |
| Complexity | 397.02603 |
Chemical Identifiers
| CAS Number | 306980-72-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NC(=S)SS1 |
Product Overview
Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate (CAS 306980-72-3), with molecular formula C6H6N2O3S3 and molecular weight 249.95 g/mol. IUPAC: ethyl 2-oxo-2-[(5-sulfanylidene-1,2,4-dithiazol-3-yl)amino]acetate.
Chemical Property Profile of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate
Property Insights of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate
The XLogP value of 1.43569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate. Following Lipinski's Rule of Five, Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate has 1 hydrogen bond donor(s) and 7 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-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate?
The CAS number of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate is 306980-72-3.
What is the molecular formula of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate?
The molecular formula of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate is C6H6N2O3S3.
What is the molecular weight of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate?
The molecular weight of Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate is 249.95 g/mol.
Where can I buy Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate?
You can request a quote for Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)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-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-2-((3-thioxo-3H-1,2,4-dithiazol-5-yl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.