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4-Thiouracil

CAT: 0013-GTR19232936-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19232936-03Size:5 g
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Description
4-Thiouracil is a photoactivatable RNA probe used to study RNA structure and nucleic acid interactions in vitro and in vivo. Upon UV irradiation, it generates singlet oxygen, leading to fluorescent products for detection, and it serves as a substrate for enzymatic incorporation into RNA.
CAS Number
591-28-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O=c1[nH]ccc (=S) [nH]1
Molecular Formula
C4H4N2OS
Molecular Weight
128.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Thiouracil

4-thiouracil is an organic molecular entity. It is functionally related to a uracil.

CAS Number591-28-6
PubChem CID2734394
IUPAC Name4-sulfanylidene-1H-pyrimidin-2-one
Molecular FormulaC4H4N2OS
Molecular Weight128.15
XLogP-0.5
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity163
SMILES
C1=CNC(=O)NC1=S
InChI
InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey
OVONXEQGWXGFJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Thiouracil
CAS: 591-28-6
CID: 2734394
Formula: C4H4N2OS
MW: 128.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.15
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.00443393
Monoisotopic Mass128.00443393
Topological Polar Surface Area73.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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