5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-
TL;DR: 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- (CAS 64484-44-2) is a chemical compound with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-methyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-, 5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-, 2-tert-butyl-6-methyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 2-tert-Butyl-6-methyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 3-methyl-8-tert-butyl-7-thia-1,3,5,9-tetrazabicyclo[4.3.0]nona-5,8-diene-2,4-dione
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 64484-44-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN2C(=NC(=O)N(C2=O)C)S1 |
| InChIKey | NLVPKJRYZOIZGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- (CAS 64484-44-2), with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol. IUPAC: 2-tert-butyl-6-methyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
Chemical Property Profile of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-
Property Insights of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-. Following Lipinski's Rule of Five, 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- has 0 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 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-?
The CAS number of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- is 64484-44-2.
What is the molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-?
The molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- is C9H12N4O2S.
What is the molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-?
The molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- is 240.07 g/mol.
Where can I buy 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-?
You can request a quote for 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,1-dimethylethyl)-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.