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Home > Pyridines > 860649-66-7
860649-66-7 | 2-(methylsulfanyl)-4,6-bis[(E)-2-phenylethenyl]pyridine-3-carbonitrile
CAS No: 860649-66-7 Catalog No: AG00INLD MDL No:MFCD04124298
Product Description
Catalog Number:
AG00INLD
Chemical Name:
2-(methylsulfanyl)-4,6-bis[(E)-2-phenylethenyl]pyridine-3-carbonitrile
CAS Number:
860649-66-7
Molecular Formula:
C23H18N2S
Molecular Weight:
354.4674
MDL Number:
MFCD04124298
IUPAC Name:
2-methylsulfanyl-4,6-bis(2-phenylethenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C23H18N2S/c1-26-23-22(17-24)20(14-12-18-8-4-2-5-9-18)16-21(25-23)15-13-19-10-6-3-7-11-19/h2-16H,1H3
InChI Key:
SBTHFYOVABKGNN-UHFFFAOYSA-N
SMILES:
CSc1nc(/C=C/c2ccccc2)cc(c1C#N)/C=C/c1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.119g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.471g/mol
Monoisotopic Mass:
354.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6
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