chempirical

2-Iodo-5-methylthiophene

C5H5ISCAS 16494-36-3224.06 g/mol

Open in Covalent MOL file
SI
Aryl halide

Properties

Molecular formula
C5H5IS
Molar mass
224.06 g/mol
Exact mass
223.9157 Da
logP
2.66Crippen 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
16494-36-3
SMILES
CC1=CC=C(S1)I
InChIKey
NAZNQEXKAPLVKC-UHFFFAOYSA-N
InChI
InChI=1S/C5H5IS/c1-4-2-3-5(6)7-4/h2-3H,1H3

Weigh it out

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

Work with 2-Iodo-5-methylthiophene

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

2,5-Diiodothiophene625-88-758 % similar 2,5-Dimethylthiophene638-02-858 % similar 2-Chloro-5-methylthiophene17249-82-044 % similar 2-Bromo-5-methylthiophene765-58-244 % similar 2-Acetyl-5-iodothiophene30955-94-340 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-439 % similar 2-Iodo-5-phenylthiophene13781-37-839 % similar 5-Methyl-2-thiopheneboronic acid162607-20-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook