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101735-16-4 | Benzenamine, 4-[(4-pyridinylthio)methyl]-
CAS No: 101735-16-4 Catalog No: AG0005CH MDL No:
Product Description
Catalog Number:
AG0005CH
Chemical Name:
Benzenamine, 4-[(4-pyridinylthio)methyl]-
CAS Number:
101735-16-4
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
IUPAC Name:
4-(pyridin-4-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C12H12N2S/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9,13H2
InChI Key:
COLXUKGEJNKESM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CSc1ccncc1
Properties
Complexity:
173
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:
2.2
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