Home Halogens 5-bromo-4-(methylthio)pyrimidin-2-amine

5-bromo-4-(methylthio)pyrimidin-2-amine

CAS No.:
1503752-08-6
Catalog Number:
AG01C0GO
Molecular Formula:
C5H6BrN3S
Molecular Weight:
220.0902
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Product Description
Catalog Number:
AG01C0GO
Chemical Name:
5-bromo-4-(methylthio)pyrimidin-2-amine
CAS Number:
1503752-08-6
Molecular Formula:
C5H6BrN3S
Molecular Weight:
220.0902
MDL Number:
MFCD23997847
IUPAC Name:
5-bromo-4-methylsulfanylpyrimidin-2-amine
InChI:
InChI=1S/C5H6BrN3S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChI Key:
ULNSBVYZVPNNPI-UHFFFAOYSA-N
SMILES:
CSc1nc(N)ncc1Br
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.947g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.088g/mol
Monoisotopic Mass:
218.947g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties