ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate
TL;DR: ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate (CAS 339244-44-9) is a chemical compound with molecular formula C8H9N5O2S2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-imino-2-sulfanylidene-3-(1,2,4-triazol-4-yl)-1,3-thiazolidine-5-carboxylate
Also Known As: ethyl 4-imino-2-sulfanylidene-3-(1,2,4-triazol-4-yl)-1,3-thiazolidine-5-carboxylate, ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate
| Molecular Formula | C8H9N5O2S2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 0.15677 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.01978 |
| Heavy Atoms | 17 |
| Complexity | 460.49042 |
Chemical Identifiers
| CAS Number | 339244-44-9 |
|---|---|
| SMILES | CCOC(=O)C1C(=N)N(C(=S)S1)N2C=NN=C2 |
Product Overview
ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate (CAS 339244-44-9), with molecular formula C8H9N5O2S2 and molecular weight 271.02 g/mol. IUPAC: ethyl 4-imino-2-sulfanylidene-3-(1,2,4-triazol-4-yl)-1,3-thiazolidine-5-carboxylate.
Chemical Property Profile of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate
Property Insights of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate
The XLogP value of 0.15677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate 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 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate?
The CAS number of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate is 339244-44-9.
What is the molecular formula of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate?
The molecular formula of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate is C8H9N5O2S2.
What is the molecular weight of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate?
The molecular weight of ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate is 271.02 g/mol.
Where can I buy ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate?
You can request a quote for ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-imino-2-thioxo-3-(4H-1,2,4-triazol-4-yl)thiazolidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.