ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate
TL;DR: ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate (CAS 6939-49-7) is a chemical compound with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate
Also Known As: ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate, ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-car, Ethyl 4-methyl-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
| Molecular Formula | C7H9N3O3S |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 0.01459 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.03647 |
| Heavy Atoms | 14 |
| Complexity | 461.98322 |
Chemical Identifiers
| CAS Number | 6939-49-7 |
|---|---|
| SMILES | CCOC(=O)C1=NNC(=S)N(C1=O)C |
Product Overview
ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate (CAS 6939-49-7), with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol. IUPAC: ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate
Property Insights of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate
The XLogP value of 0.01459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate has 1 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 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate?
The CAS number of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate is 6939-49-7.
What is the molecular formula of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate?
The molecular formula of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate is C7H9N3O3S.
What is the molecular weight of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate?
The molecular weight of ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate is 215.04 g/mol.
Where can I buy ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate?
You can request a quote for ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-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 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.