4-Thiouridine

Chemical Information
4-thiouridine is a thiouridine in which the oxygen replaced by sulfur is that at C-4. It has a role as an antimetabolite and an affinity label. It is a thiouridine and a nucleoside analogue.
| CAS Number | 13957-31-8 |
| PubChem CID | 3032615 |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.27 |
| XLogP | -1.4 |
| Topological Polar Surface Area | 134 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 374 |
| Property | Value |
|---|---|
| Molecular Weight | 260.27 |
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 260.04669266 |
| Monoisotopic Mass | 260.04669266 |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 374 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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