TL;DR: 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione (CAS 13515-02-1) is a chemical compound with molecular formula C5H4N4S2 and molecular weight 183.98773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione
Also Known As: 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione, 4-Aminopyrazolo[3,4-d][1,3]thiazine-6(1H)-thione, PYRAZOLO[3,4-D][1,3]THIAZINE-6(1H)-THIONE,4,7-DIHYDRO-4-IMINO-, 4-imino-4,7-dihydro-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione
| Molecular Formula | C5H4N4S2 |
| Molecular Weight | 183.98773 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98773 Da |
| Heavy Atoms | 11 |
| Complexity | 314.0 |
| SMILES | C1=NNC2=NC(=S)SC(=C21)N |
| InChIKey | WINOAXSKODYYLY-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione. Following Lipinski's Rule of Five, 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione is 13515-02-1.
The molecular formula of 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione is C5H4N4S2.
The molecular weight of 4-amino-1H-pyrazolo[3,4-d][1,3]thiazine-6-thione is 183.98773 g/mol.
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