2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one
TL;DR: 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one (CAS 112021-79-1) is a chemical compound with molecular formula C6H11N3O4S and molecular weight 221.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one
Also Known As: 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one, 2-Methyl-5-propoxy-1lambda~6~,2,4,6-thiatriazine-1,1,3(2H,4H)-trione
Technical Specifications
| Molecular Formula | C6H11N3O4S |
| Molecular Weight | 221.04703 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.04703 Da |
| Heavy Atoms | 14 |
| Complexity | 356.0 |
| SMILES | CCCOC1=NS(=O)(=O)N(C(=O)N1)C |
| InChIKey | SMQPAUYXRQTDAI-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one
Property Insights of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one. Following Lipinski's Rule of Five, 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one 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
What is the CAS number of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one?
The CAS number of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one is 112021-79-1.
What is the molecular formula of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one?
The molecular formula of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one is C6H11N3O4S.
What is the molecular weight of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one?
The molecular weight of 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one is 221.04703 g/mol.
Where can I buy 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one?
You can request a quote for 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one?
Yes, CoreyChem provides custom synthesis services for 2-methyl-1,1-dioxo-5-propoxy-4H-1,2,4,6-thiatriazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.