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Home > Nitro Compounds > 831231-60-8
831231-60-8 | 4(3H)-Pyrimidinone, 3-methyl-2-(methylthio)-5-nitro-6-(4-pyridinyl)-
CAS No: 831231-60-8 Catalog No: AG004W3B MDL No:
Product Description
Catalog Number:
AG004W3B
Chemical Name:
4(3H)-Pyrimidinone, 3-methyl-2-(methylthio)-5-nitro-6-(4-pyridinyl)-
CAS Number:
831231-60-8
Molecular Formula:
C11H10N4O3S
Molecular Weight:
278.2871
IUPAC Name:
3-methyl-2-methylsulfanyl-5-nitro-6-pyridin-4-ylpyrimidin-4-one
InChI:
InChI=1S/C11H10N4O3S/c1-14-10(16)9(15(17)18)8(13-11(14)19-2)7-3-5-12-6-4-7/h3-6H,1-2H3
InChI Key:
OYJUFMQXSXKGQY-UHFFFAOYSA-N
SMILES:
CSc1nc(c2ccncc2)c(c(=O)n1C)[N+](=O)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.286g/mol
Monoisotopic Mass:
278.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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