chempirical

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. Search the SDS library

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