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88496-48-4 | Pyridine, 2-[[1-(2,5-dimethylphenyl)ethyl]thio]-4-methyl-
CAS No: 88496-48-4 Catalog No: AG0049Q9 MDL No:
Product Description
Catalog Number:
AG0049Q9
Chemical Name:
Pyridine, 2-[[1-(2,5-dimethylphenyl)ethyl]thio]-4-methyl-
CAS Number:
88496-48-4
Molecular Formula:
C16H19NS
Molecular Weight:
257.3938
IUPAC Name:
2-[1-(2,5-dimethylphenyl)ethylsulfanyl]-4-methylpyridine
InChI:
InChI=1S/C16H19NS/c1-11-5-6-13(3)15(9-11)14(4)18-16-10-12(2)7-8-17-16/h5-10,14H,1-4H3
InChI Key:
BHZBQTQPWFBGSM-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)SC(c1cc(C)ccc1C)C
Properties
Complexity:
256
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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