2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide
TL;DR: 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide (CAS 85769-93-3) is a chemical compound with molecular formula C5H9N3O3S and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-methyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one
Also Known As: 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide, 2-methyl-5-ethyl-2H-1,2,4,6-thiatriazine-3-one-1,1-dioxide, 5-ethyl-2-methyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one, 5-Ethyl-2-methyl-1lambda~6~,2,4,6-thiatriazine-1,1,3(2H,4H)-trione
| Molecular Formula | C5H9N3O3S |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.03647 |
| Heavy Atoms | 12 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 85769-93-3 |
|---|---|
| SMILES | CCC1=NS(=O)(=O)N(C(=O)N1)C |
| InChIKey | WAAVWXJARXEIRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide (CAS 85769-93-3), with molecular formula C5H9N3O3S and molecular weight 191.04 g/mol. IUPAC: 5-ethyl-2-methyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one.
Chemical Property Profile of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide
Property Insights of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide
The XLogP value of -0.6 indicates that 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide?
The CAS number of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide is 85769-93-3.
What is the molecular formula of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide?
The molecular formula of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide is C5H9N3O3S.
What is the molecular weight of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide?
The molecular weight of 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide is 191.04 g/mol.
Where can I buy 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide?
You can request a quote for 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4,6-Thiatriazin-3(4H)-one, 5-ethyl-2-methyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.