3'-O-Acetyl-4-thiothymidine
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: 3'-O-Acetyl-4-thiothymidine|Thymidine, 4-thio-, 3'-acetate|[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate|1-(3-O-Acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
CAS: 20188-76-5
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.078 g/mol |
| LogP | 0.42581 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.078 |
| Monoisotopic Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 623.0091 |
Chemical Identifiers
| CAS Number | 20188-76-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)OC(=O)C |
Product Overview
3'-O-Acetyl-4-thiothymidine (CAS 20188-76-5), with molecular formula C12H16N2O5S and molecular weight 300.078 g/mol. IUPAC: [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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3'-O-Acetyl-4-thiothymidine is a custom synthesis product. We offer services from milligram to kilogram scale.
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