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Home > Pyridines > 1019522-88-3
1019522-88-3 | 3-[(pyridin-2-ylsulfanyl)methyl]aniline
CAS No: 1019522-88-3 Catalog No: AG01A82U MDL No:MFCD11134012
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
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