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Home > Pyridines > 1346534-76-6
1346534-76-6 | 5-(benzylsulfanyl)-2-methylpyridine-3-carbonitrile
CAS No: 1346534-76-6 Catalog No: AG01AFZY MDL No:MFCD28023690
Product Description
Catalog Number:
AG01AFZY
Chemical Name:
5-(benzylsulfanyl)-2-methylpyridine-3-carbonitrile
CAS Number:
1346534-76-6
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD28023690
IUPAC Name:
5-benzylsulfanyl-2-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2S/c1-11-13(8-15)7-14(9-16-11)17-10-12-5-3-2-4-6-12/h2-7,9H,10H2,1H3
InChI Key:
YCVFFCHBQYSAAP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(SCc2ccccc2)cnc1C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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