TL;DR: (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl- (CAS 139605-57-5) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
Also Known As: (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl-, 3,5-Dihydro-7-methyl-(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 7-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one, 7-Methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzothiazin-2(1H)-one
| Molecular Formula | C11H11N3OS |
| Molecular Weight | 233.06229 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.06229 Da |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
| SMILES | CC1=C2C(=CC=C1)N3CC(=O)NN=C3CS2 |
| InChIKey | SFCAHUBDAHSYMV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl-. Following Lipinski's Rule of Five, (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl- is 139605-57-5.
The molecular formula of (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl- is C11H11N3OS.
The molecular weight of (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-7-methyl- is 233.06229 g/mol.
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