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14001-68-4 | Pyrimidine, 5-bromo-4-(methylthio)-
CAS No: 14001-68-4 Catalog No: AG001BXQ MDL No:MFCD00234067
Product Description
Catalog Number:
AG001BXQ
Chemical Name:
Pyrimidine, 5-bromo-4-(methylthio)-
CAS Number:
14001-68-4
Molecular Formula:
C5H5BrN2S
Molecular Weight:
205.0756
MDL Number:
MFCD00234067
IUPAC Name:
5-bromo-4-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H5BrN2S/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChI Key:
GKBSHGZCKWMDHH-UHFFFAOYSA-N
SMILES:
CSc1ncncc1Br
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.936g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.073g/mol
Monoisotopic Mass:
203.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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