4-Thiouridine Structure

4-Thiouridine

Chemical Properties

Melting point 139-140℃ (ethanol )
Density  1.72±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
pka 4.75±0.20(Predicted)
form  crystalline
color  light yellow
PH 8.2
biological source synthetic (organic)
Water Solubility  Soluble in water (20 mg/ml), and methanol (10 mg/ml).
λmax 245,331 (pH 6.5);316 (pH 12)
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
InChIKey ZLOIGESWDJYCTF-XVFCMESISA-N
SMILES OC[C@H]1O[C@@H](N2C=CC(=S)NC2=O)[C@H](O)[C@@H]1O
CAS DataBase Reference 13957-31-8(CAS DataBase Reference)
FDA UNII U9TYQ2R33J
UNSPSC Code 41106305
NACRES NA.51

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements  24/25
WGK Germany  3
HS Code  29349990
Storage Class 11 - Combustible Solids

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