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124700-70-5 | 4-Pyrimidinol, 2-(methylthio)-
CAS No: 124700-70-5 Catalog No: AG000MMR MDL No:MFCD00047373
Product Description
Catalog Number:
AG000MMR
Chemical Name:
4-Pyrimidinol, 2-(methylthio)-
CAS Number:
124700-70-5
Molecular Formula:
C5H6N2OS
Molecular Weight:
142.1789
MDL Number:
MFCD00047373
IUPAC Name:
2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
InChI Key:
UYHSQVMHSFXUOA-UHFFFAOYSA-N
SMILES:
CSc1nc(O)ccn1
EC Number:
227-274-6
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.176g/mol
Monoisotopic Mass:
142.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Tautomerism in 4-hydroxypyrimidine, S-methyl-2-thiouracil, and 2-thiouracil. | The journal of physical chemistry. A 20101209 |
| Synthesis of 2-bromomethyl-3-hydroxy-2-hydroxymethyl-propyl pyrimidine and theophylline nucleosides under microwave irradiation. Evaluation of their activity against hepatitis B virus. | Nucleosides, nucleotides & nucleic acids 20060101 |
| Thiouracil antithyroid drugs as a new class of neuronal nitric oxide synthase inhibitors. | Biochemical and biophysical research communications 20010406 |
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