TL;DR: 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione (CAS 1002243-80-2) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.07826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
Also Known As: 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)pyrimidine-2-thiol, 4-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-pyrimidine-2-thiol, 6-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrimidine-2-thione, 4-(1-ethyl-5-methylpyrazol-4-yl)pyrimidine-2-thiol, 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione
| Molecular Formula | C10H12N4S |
| Molecular Weight | 220.07826 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07826 Da |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
| SMILES | CCN1C(=C(C=N1)C2=CC=NC(=S)N2)C |
| InChIKey | GRVKVQMKUBMNRH-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione. Following Lipinski's Rule of Five, 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione is 1002243-80-2.
The molecular formula of 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione is C10H12N4S.
The molecular weight of 6-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-2(1H)-pyrimidinethione is 220.07826 g/mol.
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