chempirical

2-Iododibenzothiophene

C12H7ISCAS 177586-41-3310.15 g/mol

Open in Covalent MOL file
SI
Aryl halide

Properties

Molecular formula
C12H7IS
Molar mass
310.15 g/mol
Exact mass
309.9313 Da
logP
4.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
177586-41-3
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)I
InChIKey
LCTVJYHYWSCJAF-UHFFFAOYSA-N
InChI
InChI=1S/C12H7IS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Iododibenzothiophene

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

Dibenzothiophene132-65-058 % similar 2-Bromodibenzothiophene22439-61-855 % similar 2-Dibenzothiophenamine7428-91-355 % similar Dibenzothiophene-2-boronic acid668983-97-950 % similar 3-Iodocarbazole16807-13-945 % similar 3-Dibenzothiophenamine25288-76-045 % similar 2-Iododibenzofuran5408-56-045 % similar Thioxanthone492-22-843 % similar

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

Same formula

4-Iododibenzothiophene132034-89-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook