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Home > Pyridines > 303985-25-3
303985-25-3 | 6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS No: 303985-25-3 Catalog No: AG00IV0O MDL No:MFCD01314773
Product Description
Catalog Number:
AG00IV0O
Chemical Name:
6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS Number:
303985-25-3
Molecular Formula:
C25H22N2S
Molecular Weight:
382.5206
MDL Number:
MFCD01314773
IUPAC Name:
4,6-bis[2-(4-methylphenyl)ethenyl]-2-methylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C25H22N2S/c1-18-4-8-20(9-5-18)12-14-22-16-23(27-25(28-3)24(22)17-26)15-13-21-10-6-19(2)7-11-21/h4-16H,1-3H3
InChI Key:
MOTXHPYFLWAMIF-UHFFFAOYSA-N
SMILES:
N#Cc1c(/C=C\c2ccc(cc2)C)cc(nc1SC)/C=C/c1ccc(cc1)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.15g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.525g/mol
Monoisotopic Mass:
382.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.7
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