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5,6-dimethyl-2-Thiouracil

CAT: 0931-T37344-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T37344-01Size:500 mg
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CAS Number
28456-54-4
Target
Others
Related Pathways
Others
Bioactivity
5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones.1 It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.2
Smiles
CC1=C(C)C(=O)NC(=S)N1
Molecular Formula
C6H8N2OS
Molecular Weight
156.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,6-Dimethyl-2-thiouracil
CAS Number28456-54-4
PubChem CID2736249
IUPAC Name5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC6H8N2OS
Molecular Weight156.21
XLogP0.4
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity232
SMILES
CC1=C(NC(=S)NC1=O)C
InChI
InChI=1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
InChIKey
MEAKRQUSGACTFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dimethyl-2-thiouracil
CAS: 28456-54-4
CID: 2736249
Formula: C6H8N2OS
MW: 156.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.21
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass156.03573406
Monoisotopic Mass156.03573406
Topological Polar Surface Area73.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity232
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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