Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate
TL;DR: Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate (CAS 124059-99-0) is a chemical compound with molecular formula C7H9N3O4S and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate
Also Known As: BAS 00557014, F0918-0346, ethyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate, ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate, ethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate
| Molecular Formula | C7H9N3O4S |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | -0.8866 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.03137 |
| Heavy Atoms | 15 |
| Complexity | 452.0388 |
Chemical Identifiers
| CAS Number | 124059-99-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=O)NC1=O |
Product Overview
Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate (CAS 124059-99-0), with molecular formula C7H9N3O4S and molecular weight 231.03 g/mol. IUPAC: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate
Property Insights of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate
The XLogP value of -0.8866 indicates that Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate has 2 hydrogen bond donor(s) and 6 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-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate?
The CAS number of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate is 124059-99-0.
What is the molecular formula of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate?
The molecular formula of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate is C7H9N3O4S.
What is the molecular weight of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate?
The molecular weight of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate is 231.03 g/mol.
Where can I buy Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate?
You can request a quote for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)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-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.