Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate (CAS 51101-09-8) is a chemical compound with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate
Also Known As: Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate, Maybridge4_004107, ethyl 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate, IDI1_032929, ethyl 5-hydroxy-3-mercapto-1,2,4-triazine-6-carboxylate
| Molecular Formula | C6H7N3O3S |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 0.00419 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.02081 |
| Heavy Atoms | 13 |
| Complexity | 421.62292 |
Chemical Identifiers
| CAS Number | 51101-09-8 |
|---|---|
| SMILES | CCOC(=O)C1=NNC(=S)NC1=O |
Product Overview
Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate (CAS 51101-09-8), with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol. IUPAC: ethyl 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
The XLogP value of 0.00419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate has 2 hydrogen bond donor(s) and 5 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 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is 51101-09-8.
What is the molecular formula of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is C6H7N3O3S.
What is the molecular weight of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is 201.02 g/mol.
Where can I buy Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.