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203927-87-1 | Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, diiodide (9CI)
CAS No: 203927-87-1 Catalog No: AG00297O MDL No:
Product Description
Catalog Number:
AG00297O
Chemical Name:
Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, diiodide (9CI)
CAS Number:
203927-87-1
Molecular Formula:
C36H28I2S3
Molecular Weight:
810.6115
IUPAC Name:
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;diiodide
InChI:
InChI=1S/C36H28S3.2HI/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
InChI Key:
SZJGPRWBYLPIIC-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)Sc1ccc(cc1)[S+](c1ccccc1)c1ccccc1.[I-].[I-]
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
809.944g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
810.609g/mol
Monoisotopic Mass:
809.944g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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