ChemicalBook--->CAS DataBase List--->20235-78-3

20235-78-3

20235-78-3 Structure

20235-78-3 Structure
IdentificationBack Directory
[Name]

2-THIOURIDINE
[CAS]

20235-78-3
[Synonyms]

2-THIOURIDINE
2-Thio-D-uridine
Uridine, 2-thio-
2-Thioxo-2-deoxouridine
1-β-D-Ribofuranosyl-2-thiouracil
1-beta-D-Ribofuranosyl-2-thiouracil
[Molecular Formula]

C9H12N2O5S
[MDL Number]

MFCD03788697
[MOL File]

20235-78-3.mol
[Molecular Weight]

260.27
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

216-218°C
[density ]

1.72±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly, Heated), Water (Slightly, Heated)
[form ]

Solid
[pka]

6.98±0.20(Predicted)
[color ]

White to Off-White
[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
[InChIKey]

GJTBSTBJLVYKAU-XVFCMESISA-N
[SMILES]

OC[C@H]1O[C@@H](N2C=CC(=O)NC2=S)[C@H](O)[C@@H]1O
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Modified nucleotide, essential for normal cell growth in some bacterial species. This compound is also able to chelate several metal ions.
[Definition]

ChEBI: 2-thiouridine is a thiouridine in which the oxygen replaced by sulfur is that at C-2. It is a thiouridine and a nucleoside analogue.
Spectrum DetailBack Directory
[Spectrum Detail]

2-THIOURIDINE(20235-78-3)1HNMR
2-THIOURIDINE(20235-78-3)13CNMR
2-THIOURIDINE(20235-78-3)IR1
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