Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-


Chemical Name: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-
CAS Number: 496863-48-0
Product Number: AG00DBF0(AGN-PC-00DKJP)
Synonyms:
MDL No:
Molecular Formula: C7H8N2OS
Molecular Weight: 168.2162

Identification/Properties


Computed Properties
Molecular Weight:
168.214g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.036g/mol
Monoisotopic Mass:
168.036g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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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