Pyrimidine, 2-chloro-4-(methylthio)-


Chemical Name: Pyrimidine, 2-chloro-4-(methylthio)-
CAS Number: 49844-93-1
Product Number: AG00DEJ3(AGN-PC-00Z4XF)
Synonyms:
MDL No: MFCD09265490
Molecular Formula: C5H5ClN2S
Molecular Weight: 160.6246

Identification/Properties


Computed Properties
Molecular Weight:
160.619g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
159.986g/mol
Monoisotopic Mass:
159.986g/mol
Topological Polar Surface Area:
51.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
91
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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