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Home > Pyridines > 812637-22-2
812637-22-2 | Pyridine, 5-[[(4-methoxyphenyl)methyl]thio]-2-methyl-
CAS No: 812637-22-2 Catalog No: AG00545V MDL No:
Product Description
Catalog Number:
AG00545V
Chemical Name:
Pyridine, 5-[[(4-methoxyphenyl)methyl]thio]-2-methyl-
CAS Number:
812637-22-2
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
5-[(4-methoxyphenyl)methylsulfanyl]-2-methylpyridine
InChI:
InChI=1S/C14H15NOS/c1-11-3-8-14(9-15-11)17-10-12-4-6-13(16-2)7-5-12/h3-9H,10H2,1-2H3
InChI Key:
YXJJGNYNLNDAFN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1ccc(nc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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