Home Other Building Blocks 3-[(pyridin-2-ylsulfanyl)methyl]aniline

3-[(pyridin-2-ylsulfanyl)methyl]aniline

CAS No.:
1019522-88-3
Catalog Number:
AG01A82U
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
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Product Description
Catalog Number:
AG01A82U
Chemical Name:
3-[(pyridin-2-ylsulfanyl)methyl]aniline
CAS Number:
1019522-88-3
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD11134012
IUPAC Name:
3-(pyridin-2-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C12H12N2S/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12/h1-8H,9,13H2
InChI Key:
WHWVLAXMWKZUPO-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CSc1ccccn1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties