4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde


Chemical Name: 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
CAS Number: 16953-46-1
Product Number: AG007UVG(AGN-PC-0KK7V9)
Synonyms:
MDL No:
Molecular Formula: C5H4N2O2S
Molecular Weight: 156.1625

Identification/Properties


Computed Properties
Molecular Weight:
156.159g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
155.999g/mol
Monoisotopic Mass:
155.999g/mol
Topological Polar Surface Area:
90.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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