TL;DR: Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- (CAS 108895-43-8) is a chemical compound with molecular formula C12H18N2O5S and molecular weight 302.09363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5R)-4-(2-hydroxyethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-SCH2CH2OH-ddT, Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio-, 3'-Hydroxyethylthio-2',3'-dideoxythymidine, 3'-S-(2-Hydroxyethyl)-3'-thiothymidine, 1-[(2R,4S,5R)-4-(2-hydroxyethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C12H18N2O5S |
| Molecular Weight | 302.09363 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.09363 Da |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SCCO |
| InChIKey | NZEUEGWIRIHOQF-KXUCPTDWSA-N |
The XLogP value of -0.7 indicates that Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio-. Following Lipinski's Rule of Five, Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- has 3 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 Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- is 108895-43-8.
The molecular formula of Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- is C12H18N2O5S.
The molecular weight of Thymidine, 3'-S-(2-hydroxyethyl)-3'-thio- is 302.09363 g/mol.
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