TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- (CAS 125056-71-5) is a chemical compound with molecular formula C9H14N2O4S and molecular weight 246.06743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethoxymethyl)-5-methyl-6-methylsulfanylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 1-(2OHEtOMe)-6(MeS)T, 1-((2-Hydroxyethoxy)methyl)-6-(methylthio)thymine, 1-(2-Hydroxyethoxymethyl)-6-methylthiothymine, 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)-
| Molecular Formula | C9H14N2O4S |
| Molecular Weight | 246.06743 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.06743 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC |
| InChIKey | RCMQIVZCCPUJFH-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- is 125056-71-5.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- is C9H14N2O4S.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)- is 246.06743 g/mol.
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