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636-26-0 | 4(1H)-Pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-
CAS No: 636-26-0 Catalog No: AG003LIF MDL No:MFCD00009777
Product Description
Catalog Number:
AG003LIF
Chemical Name:
4(1H)-Pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-
CAS Number:
636-26-0
Molecular Formula:
C5H6N2OS
Molecular Weight:
142.1789
MDL Number:
MFCD00009777
IUPAC Name:
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChI Key:
ZLAQATDNGLKIEV-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(=S)[nH]c1=O
NSC Number:
9377
Properties
Complexity:
197
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.176g/mol
Monoisotopic Mass:
142.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Binding of metal ions by pyrimidine base pairs in DNA duplexes. | Chemical Society reviews 20111201 |
| Role of the heat capacity change in understanding and modeling melting thermodynamics of complementary duplexes containing standard and nucleobase-modified LNA. | Biochemistry 20110614 |
| Excited-state dynamics of 6-aza-2-thiothymine and 2-thiothymine: highly efficient intersystem crossing and singlet oxygen photosensitization. | The journal of physical chemistry. B 20100708 |
| 2'-Modified oligonucleotides for antisense therapeutics. | Current topics in medicinal chemistry 20070101 |
| Influence of thioketo substitution on the properties of uracil and its noncovalent interactions with alkali metal ions: threshold collision-induced dissociation and theoretical studies. | The journal of physical chemistry. A 20060202 |
| EPR study of a copper impurity center in a single crystal of 2-thiothymine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20051001 |
| Role of histidine-85 in the catalytic mechanism of thymidine phosphorylase as assessed by targeted molecular dynamics simulations and quantum mechanical calculations. | Biochemistry 20040120 |
| 5-Methyl-2-thiouracil. | Acta crystallographica. Section C, Crystal structure communications 20020901 |
| Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. | Biochemical pharmacology 19940817 |
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