TL;DR: Thiadiazine der. (CAS 74039-27-3) is a chemical compound with molecular formula C7H9N5O2S2 and molecular weight 259.01978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-6-methylsulfanyl-1,1-dioxopyrimido[4,5-e][1,2,4]thiadiazin-8-amine
Also Known As: Thiadiazine der., NCIOpen2_004934, 4H-Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-4-methyl-6-(methylthio)-, 1,1-dioxide, 4H-Pyrimido[4,5-e]-1,2,4-thiadiazin-8-amine, 4-methyl-6-(methylthio)-, 1,1-dioxide, 4-methyl-6-methylsulfanyl-1,1-dioxopyrimido[4,5-e][1,2,4]thiadiazin-8-amine
| Molecular Formula | C7H9N5O2S2 |
| Molecular Weight | 259.01978 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.01978 Da |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
| SMILES | CN1C=NS(=O)(=O)C2=C(N=C(N=C21)SC)N |
| InChIKey | IHMDDIHFHVUQEH-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that Thiadiazine der. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiadiazine der.. Following Lipinski's Rule of Five, Thiadiazine der. has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiadiazine der. is 74039-27-3.
The molecular formula of Thiadiazine der. is C7H9N5O2S2.
The molecular weight of Thiadiazine der. is 259.01978 g/mol.
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