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Home > Pyridines > 210295-83-3
210295-83-3 | Pyrimidine, 4,6-bis[4-(propylthio)[2,2'-bipyridin]-6-yl]-
CAS No: 210295-83-3 Catalog No: AG002KNM MDL No:
Product Description
Catalog Number:
AG002KNM
Chemical Name:
Pyrimidine, 4,6-bis[4-(propylthio)[2,2'-bipyridin]-6-yl]-
CAS Number:
210295-83-3
Molecular Formula:
C30H28N6S2
Molecular Weight:
536.7135
IUPAC Name:
4,6-bis(4-propylsulfanyl-6-pyridin-2-ylpyridin-2-yl)pyrimidine
InChI:
InChI=1S/C30H28N6S2/c1-3-13-37-21-15-27(23-9-5-7-11-31-23)35-29(17-21)25-19-26(34-20-33-25)30-18-22(38-14-4-2)16-28(36-30)24-10-6-8-12-32-24/h5-12,15-20H,3-4,13-14H2,1-2H3
InChI Key:
YOFDKIKAXXDLNX-UHFFFAOYSA-N
SMILES:
CCCSc1cc(nc(c1)c1ccccn1)c1ncnc(c1)c1cc(SCCC)cc(n1)c1ccccn1
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.182g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.716g/mol
Monoisotopic Mass:
536.182g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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