5-Acetylthiophene-2-carbonitrile

C₇H₅NOSCAS 88653-55-8151.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅NOS
Molar mass: 151.18 g/mol
Exact mass: 151.0092 Da
logP: 1.82Crippen estimate
Polar surface area: 40.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

88653-55-8

SMILES

CC(=O)C1=CC=C(S1)C#N

InChIKey

VSHPLUBHIUFLES-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3

Weigh 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

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-methylthiophene13679-74-852 % 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. All similar compounds

Same formula

Thieno(3,2-b)pyridin-7-ol107818-20-2 2-Mercaptobenzoxazole2382-96-9 Benzisothiazolinone2634-33-5 2-Thenoylacetonitrile33898-90-7 2-Benzothiazolinone934-34-9

Elsewhere

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