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Home > Pyridines > 116638-43-8
116638-43-8 | Pyridine, 2,6-bis(2-methylphenyl)-4-(methylthio)-
CAS No: 116638-43-8 Catalog No: AG000CWV MDL No:
Product Description
Catalog Number:
AG000CWV
Chemical Name:
Pyridine, 2,6-bis(2-methylphenyl)-4-(methylthio)-
CAS Number:
116638-43-8
Molecular Formula:
C20H19NS
Molecular Weight:
305.4366
IUPAC Name:
2,6-bis(2-methylphenyl)-4-methylsulfanylpyridine
InChI:
InChI=1S/C20H19NS/c1-14-8-4-6-10-17(14)19-12-16(22-3)13-20(21-19)18-11-7-5-9-15(18)2/h4-13H,1-3H3
InChI Key:
QNUFWJKYMIFFFN-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1C)c1ccccc1C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.439g/mol
Monoisotopic Mass:
305.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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