chempirical

2-Acetyl-5-iodothiophene

C6H5IOSCAS 30955-94-3252.07 g/mol

Open in Covalent MOL file
OSI
Aryl halideKetone

Properties

Molecular formula
C6H5IOS
Molar mass
252.07 g/mol
Exact mass
251.9106 Da
logP
2.56Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
30955-94-3
SMILES
CC(=O)C1=CC=C(S1)I
InChIKey
XBUCSKKBSJSRLJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

Weigh it out

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

Work with 2-Acetyl-5-iodothiophene

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-Acetyl-5-methylthiophene13679-74-857 % similar 2-Acetyl-5-bromothiophene5370-25-255 % similar 2-Acetyl-5-chlorothiophene6310-09-455 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar 5-Acetyl-2-thiopheneboronic acid206551-43-150 % similar 2,5-Diiodothiophene625-88-744 % similar 2-Acetylthiophene88-15-344 % similar 2-Acetylbenzothiophene22720-75-842 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook