Home Other Building Blocks 2-[(pyrimidin-2-ylsulfanyl)methyl]aniline

2-[(pyrimidin-2-ylsulfanyl)methyl]aniline

CAS No.:
1019613-83-2
Catalog Number:
AG019UP3
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
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Product Description
Catalog Number:
AG019UP3
Chemical Name:
2-[(pyrimidin-2-ylsulfanyl)methyl]aniline
CAS Number:
1019613-83-2
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
MDL Number:
MFCD11136110
IUPAC Name:
2-(pyrimidin-2-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C11H11N3S/c12-10-5-2-1-4-9(10)8-15-11-13-6-3-7-14-11/h1-7H,8,12H2
InChI Key:
HMCPUFGCOLMYBY-UHFFFAOYSA-N
SMILES:
Nc1ccccc1CSc1ncccn1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties