TL;DR: 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione (CAS 156592-92-6) is a chemical compound with molecular formula C9H12N2O4S2 and molecular weight 276.02383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2',3'-DITHIOURIDINE, 1-[5-(hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione, 1-[5-(hydroxymethyl)-3,4-bis-sulfanyl-oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C9H12N2O4S2 |
| Molecular Weight | 276.02383 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.02383 Da |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
| SMILES | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)S)S |
| InChIKey | JEDWTZSNVOKYLT-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione has 4 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 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione is 156592-92-6.
The molecular formula of 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione is C9H12N2O4S2.
The molecular weight of 1-[5-(Hydroxymethyl)-3,4-bis(sulfanyl)oxolan-2-yl]pyrimidine-2,4-dione is 276.02383 g/mol.
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