200,000+ products from a single source!
sales@angenechem.com
86625-36-7 | 3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4-(4-methoxyphenyl)-6-phenyl-
CAS No: 86625-36-7 Catalog No: AG004L02 MDL No:
Product Description
Catalog Number:
AG004L02
Chemical Name:
3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4-(4-methoxyphenyl)-6-phenyl-
CAS Number:
86625-36-7
Molecular Formula:
C40H24N6O2S2
Molecular Weight:
684.7876
IUPAC Name:
2-[[3,5-dicyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]disulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C40H24N6O2S2/c1-47-29-17-13-25(14-18-29)35-31(21-41)37(27-9-5-3-6-10-27)45-39(33(35)23-43)49-50-40-34(24-44)36(26-15-19-30(48-2)20-16-26)32(22-42)38(46-40)28-11-7-4-8-12-28/h3-20H,1-2H3
InChI Key:
JHHSPGVJBSUXKU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C#N)c(SSc2nc(c3ccccc3)c(c(c2C#N)c2ccc(cc2)OC)C#N)nc(c1C#N)c1ccccc1
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.14g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
684.792g/mol
Monoisotopic Mass:
684.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.