4-Pyrimidinecarbonitrile, 2-(methylthio)-


Chemical Name: 4-Pyrimidinecarbonitrile, 2-(methylthio)-
CAS Number: 1124-75-0
Product Number: AG007T4P(AGN-PC-0JPETA)
Synonyms:
MDL No:
Molecular Formula: C6H5N3S
Molecular Weight: 151.1890

Identification/Properties


Computed Properties
Molecular Weight:
151.187g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
151.02g/mol
Monoisotopic Mass:
151.02g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
150
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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