chempirical

2-Iodo-5-phenylthiophene

C10H7ISCAS 13781-37-8286.13 g/mol

Open in Covalent MOL file
SI
Aryl halide

Properties

Molecular formula
C10H7IS
Molar mass
286.13 g/mol
Exact mass
285.9313 Da
logP
4.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
13781-37-8
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)I
InChIKey
DHRIQSGKMRCNIU-UHFFFAOYSA-N
InChI
InChI=1S/C10H7IS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H

Weigh it out

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

Work with 2-Iodo-5-phenylthiophene

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

2-Bromo-5-phenylthiophene29488-24-250 % similar 2,5-Diiodothiophene625-88-750 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-048 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-445 % similar 5-Phenylthiophene-2-carboxylic acid19163-24-741 % similar 2-Iodo-5-methylthiophene16494-36-339 % similar 2-Phenylthiophene825-55-839 % similar 4-Iodobiphenyl1591-31-737 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook