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88496-51-9 | Pyridine, 4-methyl-2-[[(2,4,6-trimethylphenyl)methyl]thio]-
CAS No: 88496-51-9 Catalog No: AG0049AO MDL No:
Product Description
Catalog Number:
AG0049AO
Chemical Name:
Pyridine, 4-methyl-2-[[(2,4,6-trimethylphenyl)methyl]thio]-
CAS Number:
88496-51-9
Molecular Formula:
C16H19NS
Molecular Weight:
257.3938
IUPAC Name:
4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine
InChI:
InChI=1S/C16H19NS/c1-11-5-6-17-16(9-11)18-10-15-13(3)7-12(2)8-14(15)4/h5-9H,10H2,1-4H3
InChI Key:
WNDZVYYWJJBNLB-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)SCc1c(C)cc(cc1C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.395g/mol
Monoisotopic Mass:
257.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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