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Home > Pyridines > 1375474-62-6
1375474-62-6 | 5-(4-methoxyphenyl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
CAS No: 1375474-62-6 Catalog No: AG019TVC MDL No:MFCD19388641
Product Description
Catalog Number:
AG019TVC
Chemical Name:
5-(4-methoxyphenyl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
CAS Number:
1375474-62-6
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
MDL Number:
MFCD19388641
IUPAC Name:
5-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2OS/c1-9-13(7-11(8-15)14(18)16-9)10-3-5-12(17-2)6-4-10/h3-7H,1-2H3,(H,16,18)
InChI Key:
HBIHFCFPKOIZBJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(C#N)c(nc1C)S
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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