TL;DR: 2',3'-Dideoxy-4-thiouridine (CAS 122568-04-1) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.05687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Also Known As: ddUrdS, 4-Thio-ddU, 2',3'-dideoxy-4-thiouridine, 2/',3/'-Dideoxy-4-thiouridine, uridine, 2',3'-dideoxy-4-thio-
| Molecular Formula | C9H12N2O3S |
| Molecular Weight | 228.05687 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.05687 Da |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
| SMILES | C1C[C@@H](O[C@@H]1CO)N2C=CC(=S)NC2=O |
| InChIKey | HFUKRBLAIFTSMI-POYBYMJQSA-N |
The XLogP value of -0.3 indicates that 2',3'-Dideoxy-4-thiouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-Dideoxy-4-thiouridine. Following Lipinski's Rule of Five, 2',3'-Dideoxy-4-thiouridine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2',3'-Dideoxy-4-thiouridine is 122568-04-1.
The molecular formula of 2',3'-Dideoxy-4-thiouridine is C9H12N2O3S.
The molecular weight of 2',3'-Dideoxy-4-thiouridine is 228.05687 g/mol.
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