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Home > Imidazoles > 89442-40-0
89442-40-0 | Pyridine, 2-[[1-(1H-imidazol-1-yl)-2-phenylethyl]thio]-
CAS No: 89442-40-0 Catalog No: AG0044JK MDL No:
Product Description
Catalog Number:
AG0044JK
Chemical Name:
Pyridine, 2-[[1-(1H-imidazol-1-yl)-2-phenylethyl]thio]-
CAS Number:
89442-40-0
Molecular Formula:
C16H15N3S
Molecular Weight:
281.3754
IUPAC Name:
2-(1-imidazol-1-yl-2-phenylethyl)sulfanylpyridine
InChI:
InChI=1S/C16H15N3S/c1-2-6-14(7-3-1)12-16(19-11-10-17-13-19)20-15-8-4-5-9-18-15/h1-11,13,16H,12H2
InChI Key:
IHXLKIJABJYHCX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC(n1cncc1)Sc1ccccn1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.377g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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