TL;DR: 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine (CAS 130224-57-6) is a chemical compound with molecular formula C8H10N4S3 and molecular weight 258.00677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
Also Known As: 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine, 1h-pyrazolo[3,4-d]pyrimidine,3,4,6-tris(methylthio)-, 3,4,6-Tris(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine, 3,4,6-Tris(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine #
| Molecular Formula | C8H10N4S3 |
| Molecular Weight | 258.00677 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.00677 Da |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
| SMILES | CSC1=NC(=NC2=C1C(=NN2)SC)SC |
| InChIKey | ZSZAJENFDFXVOW-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine is 130224-57-6.
The molecular formula of 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine is C8H10N4S3.
The molecular weight of 3,4,6-Trimethylthiopyrazolo[3,4-d]pyrimidine is 258.00677 g/mol.
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