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Home > Pyridines > 116610-58-3
116610-58-3 | Pyridine, 2-(3-methylphenyl)-4-(methylthio)-6-phenyl-
CAS No: 116610-58-3 Catalog No: AG000CUT MDL No:
Product Description
Catalog Number:
AG000CUT
Chemical Name:
Pyridine, 2-(3-methylphenyl)-4-(methylthio)-6-phenyl-
CAS Number:
116610-58-3
Molecular Formula:
C19H17NS
Molecular Weight:
291.4100
IUPAC Name:
2-(3-methylphenyl)-4-methylsulfanyl-6-phenylpyridine
InChI:
InChI=1S/C19H17NS/c1-14-7-6-10-16(11-14)19-13-17(21-2)12-18(20-19)15-8-4-3-5-9-15/h3-13H,1-2H3
InChI Key:
MFFGIBWPKDQOPM-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1cccc(c1)C)c1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.412g/mol
Monoisotopic Mass:
291.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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