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Thymine extrapure, 98%

CAT: 0565-57046-02Size: 25 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
65-71-4
Storage Temperature
2 - 8°C

Chemical Information

Thymine

Thymine is a pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a pyrimidine nucleobase and a pyrimidone.

CAS Number65-71-4
PubChem CID1135
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione
Molecular FormulaC5H6N2O2
Molecular Weight126.11
XLogP-0.6
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity195
SMILES
CC1=CNC(=O)NC1=O
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thymine
CAS: 65-71-4
CID: 1135
Formula: C5H6N2O2
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.042927438
Monoisotopic Mass126.042927438
Topological Polar Surface Area58.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity195
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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CatalogName
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