TL;DR: 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione (CAS 121746-09-6) is a chemical compound with molecular formula C8H9N3S2 and molecular weight 211.02379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione
Also Known As: 4-amino-5,6-dimethyl-1H,2H-thieno[2,3-d]pyrimidine-2-thione, 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione, J3.032.338F, 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione, 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(3h)-thione
| Molecular Formula | C8H9N3S2 |
| Molecular Weight | 211.02379 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.02379 Da |
| Heavy Atoms | 13 |
| Complexity | 390.0 |
| SMILES | CC1=C(SC2=NC(=S)NC(=C12)N)C |
| InChIKey | KCZSGPQKADVYRE-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione. Following Lipinski's Rule of Five, 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione has 2 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 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione is 121746-09-6.
The molecular formula of 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione is C8H9N3S2.
The molecular weight of 4-amino-5,6-dimethylthieno[2,3-d]pyrimidine-2(1H)-thione is 211.02379 g/mol.
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