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Home > Pyridines > 371222-47-8
371222-47-8 | 2-{[(butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
CAS No: 371222-47-8 Catalog No: AG01C1X1 MDL No:MFCD02973072
Product Description
Catalog Number:
AG01C1X1
Chemical Name:
2-{[(butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
CAS Number:
371222-47-8
Molecular Formula:
C21H20N2S3
Molecular Weight:
396.5919
MDL Number:
MFCD02973072
IUPAC Name:
2-(butylsulfanylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C21H20N2S3/c1-2-3-11-24-15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-12-25-20/h4-10,12-13H,2-3,11,15H2,1H3
InChI Key:
PRCOLPJIDOCMBG-UHFFFAOYSA-N
SMILES:
CCCCSCSc1nc(cc(c1C#N)c1ccccc1)c1cccs1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.585g/mol
Monoisotopic Mass:
396.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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