4-Pyrimidinecarboxaldehyde, 2-(methylthio)-


Chemical Name: 4-Pyrimidinecarboxaldehyde, 2-(methylthio)-
CAS Number: 1074-68-6
Product Number: AG008RA4(AGN-PC-00P58W)
Synonyms:
MDL No:
Molecular Formula: C6H6N2OS
Molecular Weight: 154.1896

Identification/Properties


Computed Properties
Molecular Weight:
154.187g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
154.02g/mol
Monoisotopic Mass:
154.02g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
120
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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