chempirical

2-Thiopseudouridine

C9H12N2O5SCAS 59464-18-5260.26 g/mol

Open in Covalent MOL file
ONHSHNOOHOHHO
AlcoholEther

Properties

Molecular formula
C9H12N2O5S
Molar mass
260.26 g/mol
Exact mass
260.0467 Da
logP
-1.41Crippen estimate
Polar surface area
118.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
2
Stereocentres
S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59464-18-5
SMILES
C1=C(C(=O)NC(=S)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIKey
DDHOXEOVAJVODV-GBNDHIKLSA-N
InChI
InChI=1S/C9H12N2O5S/c12-2-4-5(13)6(14)7(16-4)3-1-10-9(17)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,17)/t4-,5-,6-,7+/m1/s1

Weigh it out

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

Work with 2-Thiopseudouridine

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

5-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-357 % similar N1-Ethylpseudouridine1613529-72-853 % similar N1-Benzyl pseudouridine1613530-22-551 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-850 % similar 2'-Deoxypseudouridine39967-60-744 % similar 1,3-Dimethylpseudouridine64272-68-041 % similar N1-Methylpseudouridine13860-38-341 % similar 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-741 % similar

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

Same formula

4-Thiouridine13957-31-8 2-Thiouridine20235-78-3

Elsewhere

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