2-butylsulfanylpyrimidine-5-carbaldehyde


Chemical Name: 2-butylsulfanylpyrimidine-5-carbaldehyde
CAS Number: 915920-13-7
Product Number: AG00GSDJ(AGN-PC-01KVZH)
Synonyms:
MDL No:
Molecular Formula: C9H12N2OS
Molecular Weight: 196.2694

Identification/Properties


Computed Properties
Molecular Weight:
196.268g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
196.067g/mol
Monoisotopic Mass:
196.067g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
147
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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