2-Acetyl-5-iodothiophene
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
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.5% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
30955-94-3SMILES
CC(=O)C1=CC=C(S1)IInChIKey
XBUCSKKBSJSRLJ-UHFFFAOYSA-NInChI
InChI=1S/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Acetyl-5-iodothiophene
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
5-Acetylthiophene-2-carbonitrile88653-55-850 % similar
2,5-Diiodothiophene625-88-744 % similar
2-Acetylthiophene88-15-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.