5-Acetylthiophene-2-carbonitrile
Properties
- Molecular formula
- C7H5NOS
- Molar mass
- 151.18 g/mol
- Exact mass
- 151.0092 Da
- logP
- 1.82Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H301 Toxic if swallowed85.7% of notifiers
- H302 Harmful if swallowed14.3% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H319 Causes serious eye irritation14.3% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88653-55-8SMILES
CC(=O)C1=CC=C(S1)C#NInChIKey
VSHPLUBHIUFLES-UHFFFAOYSA-NInChI
InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Acetyl-5-cyanothiophene
Work with 5-Acetylthiophene-2-carbonitrile
Similar compounds
2-Acetyl-5-methylthiophene13679-74-852 % similar
2-Acetyl-5-iodothiophene30955-94-350 % similar
2-Acetyl-5-bromothiophene5370-25-250 % similar
2-Acetyl-5-chlorothiophene6310-09-450 % similar
5-Acetyl-2-thiophenecarboxylic acid4066-41-549 % similar
5-Acetyl-2-thiopheneboronic acid206551-43-146 % similar
4′-Cyanoacetophenone1443-80-746 % similar
2-Acetylbenzonitrile91054-33-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.