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2-Thiouridine

CAT: 0926-NT02881-05Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-NT02881-05Size:2 g
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CAS Number
20235-78-3
Synonyms
1- (beta-D-Ribofuranosyl) -2-thioxo-2,3-dihydro-4 (1H) -pyrimidinone
MDL Number
MFCD03788697
Smiles
C1=CN (C (=S) NC1=O) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) O) O
Molecular Formula
C9H12N2O5S
Molecular Weight
260.27 g/mol
Controlled
No

Chemical Information

2-Thiouridine

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.

CAS Number20235-78-3
PubChem CID3036443
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
Molecular FormulaC9H12N2O5S
Molecular Weight260.27
XLogP-1.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity374
SMILES
C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
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
Chemical Structure
2D Structure
2D structure of 2-Thiouridine
CAS: 20235-78-3
CID: 3036443
Formula: C9H12N2O5S
MW: 260.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.27
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass260.04669266
Monoisotopic Mass260.04669266
Topological Polar Surface Area134 Ų
Heavy Atom Count17
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-117813-012-Thiouridine
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HY-1543242′-Deoxy-2-thiouridine
TRC-A803358-10MG6-Aza-2-thiouridine
HY-1524655-Carboxymethyl-2-thiouridine
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