chempirical

4-Thiouridine

C9H12N2O5SCAS 13957-31-8260.26 g/mol

Open in Covalent MOL file
ONSHNOHOHOOH
AlcoholEtherThiol

Properties

Molecular formula
C9H12N2O5S
Molar mass
260.26 g/mol
Exact mass
260.0467 Da
Melting point
139–140 °C
logP
-1.86Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
13957-31-8
SMILES
O=c1nc(S)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
ZLOIGESWDJYCTF-XVFCMESISA-N
InChI
InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)/t4-,6-,7-,8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Uridine, 4-thio-
  • Thiouridine
  • NSC 518132

Work with 4-Thiouridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Uracil arabinoside3083-77-072 % similar Uridine58-96-872 % similar N4-Hydroxycytidine3258-02-469 % similar N(4)-Methylcytidine10578-79-767 % similar N4-Acetylcytidine3768-18-162 % similar Zebularine3690-10-661 % similar 5-Hydroxyuridine957-77-758 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia