4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-
TL;DR: 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- (CAS 65119-26-8) is a chemical compound with molecular formula C4H7N3O3S and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one
Also Known As: 2,5-dimethyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one, 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-, 2,5-dimethyl-2H-1,2,4,6-thiatriazin-3-one-1,1-dioxide, 3,6-dimethyl-6H-1,2,4,6-thiatriazin-5-one-1,1-dioxide, 2,5-Dimethyl-1lambda~6~,2,4,6-thiatriazine-1,1,3(2H,4H)-trione
| Molecular Formula | C4H7N3O3S |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.02081 |
| Heavy Atoms | 11 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 65119-26-8 |
|---|---|
| SMILES | CC1=NS(=O)(=O)N(C(=O)N1)C |
| InChIKey | LFMLOPPFYWULNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- (CAS 65119-26-8), with molecular formula C4H7N3O3S and molecular weight 177.02 g/mol. IUPAC: 2,5-dimethyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one.
Chemical Property Profile of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-
Property Insights of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-
The XLogP value of -1.1 indicates that 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- 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 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-. Following Lipinski's Rule of Five, 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- 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 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-?
The CAS number of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- is 65119-26-8.
What is the molecular formula of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-?
The molecular formula of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- is C4H7N3O3S.
What is the molecular weight of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-?
The molecular weight of 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- is 177.02 g/mol.
Where can I buy 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-?
You can request a quote for 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4,6-Thiatriazin-3-one, 2,5-dimethyl-1,1-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.