chempirical

4-Iododibenzothiophene

C12H7ISCAS 132034-89-0310.15 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

Identifiers

CAS number
132034-89-0
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)I
InChIKey
SKILYZCQRUBEIH-UHFFFAOYSA-N
InChI
InChI=1S/C12H7IS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H

Weigh it out

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

Work with 4-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

4-Bromodibenzothiophene97511-05-259 % similar Dibenzothiophene132-65-052 % similar 4-Dibenzothiopheneboronic acid108847-20-750 % similar 1-Iodonaphthalene90-14-245 % similar 4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-044 % similar 5H-[1]Benzothieno[3,2-C]carbazole(cbzs)1255308-97-443 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-140 % similar 1,2-Diiodobenzene615-42-940 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook