Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide
TL;DR: Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide (CAS 74039-26-2) is a chemical compound with molecular formula C6H7N5O2S2 and molecular weight 245.00412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-8-methylsulfanyl-2-oxo-2λ6-thia-3,5,7,9-tetrazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-10-amine
Also Known As: NCIOpen2_003058, 2-hydroxy-8-methylsulfanyl-2-oxo-2, 8-Amino-6-methylthio-1,2,4-pyrimido(4,5-e)thiadiazine 1,1-dioxide, 2H-Pyrimido(4,5-e)-1,2,4-thiadiazin-8-amine, 6-(methylthio)-, 1,1-dioxide, Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide
Technical Specifications
| Molecular Formula | C6H7N5O2S2 |
| Molecular Weight | 245.00412 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.00412 Da |
| Heavy Atoms | 15 |
| Complexity | 550.0 |
| SMILES | CSC1=NC2=NC=NS(=C2C(=N1)N)(=O)O |
| InChIKey | QTTZQBCJZVMAMR-UHFFFAOYSA-N |
Chemical Property Profile of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide
Property Insights of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide
The XLogP value of -1.0 indicates that Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide?
The CAS number of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide is 74039-26-2.
What is the molecular formula of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide?
The molecular formula of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide is C6H7N5O2S2.
What is the molecular weight of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide?
The molecular weight of Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide is 245.00412 g/mol.
Where can I buy Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide?
You can request a quote for Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-6-methylthio-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.