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89568-83-2 | Pyridine, 4,4'-[dithiobis(tetrahydro-2-phenyl-3,2-thiophenediyl)]bis-
CAS No: 89568-83-2 Catalog No: AG003ZA0 MDL No:
Product Description
Catalog Number:
AG003ZA0
Chemical Name:
Pyridine, 4,4'-[dithiobis(tetrahydro-2-phenyl-3,2-thiophenediyl)]bis-
CAS Number:
89568-83-2
Molecular Formula:
C30H28N2S4
Molecular Weight:
544.8167
IUPAC Name:
4-[2-phenyl-3-[(2-phenyl-2-pyridin-4-ylthiolan-3-yl)disulfanyl]thiolan-2-yl]pyridine
InChI:
InChI=1S/C30H28N2S4/c1-3-7-23(8-4-1)29(25-11-17-31-18-12-25)27(15-21-33-29)35-36-28-16-22-34-30(28,24-9-5-2-6-10-24)26-13-19-32-20-14-26/h1-14,17-20,27-28H,15-16,21-22H2
InChI Key:
KXPBRMCSEFKXKV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(SCCC1SSC1CCSC1(c1ccccc1)c1ccncc1)c1ccncc1
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.114g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.808g/mol
Monoisotopic Mass:
544.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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