Home Other Building Blocks BENZYL-(2-METHYLSULFANYL-PYRIMIDIN-4-YL)-AMINE

BENZYL-(2-METHYLSULFANYL-PYRIMIDIN-4-YL)-AMINE

CAS No.:
91719-61-8
Catalog Number:
AG006E4A
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
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Product Description
Catalog Number:
AG006E4A
Chemical Name:
BENZYL-(2-METHYLSULFANYL-PYRIMIDIN-4-YL)-AMINE
CAS Number:
91719-61-8
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD10574959
IUPAC Name:
N-benzyl-2-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C12H13N3S/c1-16-12-13-8-7-11(15-12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)
InChI Key:
XKXIAFTYXCCCQG-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)NCc1ccccc1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties