2-Thiouridine

C9H12N2O5SCAS 20235-78-3260.26 g/mol

Open in Covalent MOL file
NSHNOOHOOHOH
AlcoholEther

Properties

Molecular formula
C9H12N2O5S
Molar mass
260.26 g/mol
Exact mass
260.0467 Da
logP
-1.48Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
20235-78-3
SMILES
C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIKey
GJTBSTBJLVYKAU-XVFCMESISA-N
InChI
InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1

Weigh it out

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

Work with 2-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

L-Uridine26287-69-474 % similar 2'-Chloro-2'-deoxyuridine4753-04-258 % similar 2'-Fluoro-2'-deoxyuridine784-71-458 % similar 3'-O-Methyluridine6038-59-156 % similar 3-Deazauridine23205-42-755 % similar Uracil arabinoside3083-77-053 % similar Uridine58-96-853 % similar 2'-O-(2-Methoxyethyl)uridine223777-15-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Thiouridine13957-31-8 2-Thiopseudouridine59464-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook