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497851-93-1 | 4-[(pyridin-2-ylsulfanyl)methyl]aniline
CAS No: 497851-93-1 Catalog No: AG01A8CB MDL No:MFCD11134020
Product Description
Catalog Number:
AG01A8CB
Chemical Name:
4-[(pyridin-2-ylsulfanyl)methyl]aniline
CAS Number:
497851-93-1
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD11134020
IUPAC Name:
4-(pyridin-2-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C12H12N2S/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9,13H2
InChI Key:
GMHSUJQBWXRQHK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CSc1ccccn1
Properties
Complexity:
179
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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