chempirical

2,5-Diiodothiophene

C4H2I2SCAS 625-88-7335.93 g/mol

Open in Covalent MOL file
IIS
Aryl halide

Properties

Molecular formula
C4H2I2S
Molar mass
335.93 g/mol
Exact mass
335.7967 Da
Melting point
41.5 °C
Boiling point
67–70 °C (at 0.05 Torr)
logP
2.96Crippen 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
625-88-7
SMILES
Ic1ccc(I)s1
InChIKey
PNYWRAHWEIOAGK-UHFFFAOYSA-N
InChI
InChI=1S/C4H2I2S/c5-3-1-2-4(6)7-3/h1-2H

Weigh it out

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

Names and synonyms

2 names
  • Thiophene, 2,5-diiodo-
  • NSC 80411

Work with 2,5-Diiodothiophene

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-Iodo-5-methylthiophene16494-36-358 % similar 2-Iodo-5-phenylthiophene13781-37-850 % similar 2-Acetyl-5-iodothiophene30955-94-344 % similar 2-Iodothiophene3437-95-440 % similar 1,4-Diiodobenzene624-38-431 % similar 4-Chloro-6-iodo-thieno[3,2-D]pyrimidine225382-62-730 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook