4-Iododibenzothiophene

C₁₂H₇ISCAS 132034-89-0310.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇IS
Molar mass: 310.15 g/mol
Exact mass: 309.9313 Da
logP: 4.66Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

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 Dibenzo[B,D]thiophene-4-carbaldehyde23985-81-150 % similar 4-(4-Bromophenyl)dibenzothiophene530402-77-846 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iododibenzothiophene177586-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook