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14001-67-3 | Pyrimidine, 5-bromo-2-(methylthio)-
CAS No: 14001-67-3 Catalog No: AG001BXR MDL No:MFCD00187875
Product Description
Catalog Number:
AG001BXR
Chemical Name:
Pyrimidine, 5-bromo-2-(methylthio)-
CAS Number:
14001-67-3
Molecular Formula:
C5H5BrN2S
Molecular Weight:
205.0756
MDL Number:
MFCD00187875
IUPAC Name:
5-bromo-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChI Key:
WFLSPLBDSJLPFW-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)Br
Properties
Complexity:
83
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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