Bis(4-iodophenyl) sulfoxide

C₁₂H₈I₂OSCAS 647829-43-4454.06 g/mol

Open in Covalent MOL file

Aryl halide Sulfoxide

Properties

Molecular formula: C₁₂H₈I₂OS
Molar mass: 454.06 g/mol
Exact mass: 453.8385 Da
logP: 4.06Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

647829-43-4

SMILES

C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)I)I

InChIKey

BVNAGZDWGFKCKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H8I2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

Weigh it out

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Work with Bis(4-iodophenyl) sulfoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diiodobenzene624-38-453 % similar Diphenyl sulfoxide945-51-752 % similar 1,1′-Sulfinylbis[4-methylbenzene]1774-35-252 % similar 1,1′-Sulfinylbis[4-chlorobenzene]3085-42-552 % similar 4,4''-Diiodo-P-terphenyl19053-14-645 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-845 % similar 4-Iodobenzaldehyde15164-44-040 % similar 1-Iodo-4-(methylsulfanyl)benzene35371-03-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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