2-Acetylbenzothiazole

C₉H₇NOSCAS 1629-78-3177.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NOS
Molar mass: 177.22 g/mol
Exact mass: 177.0248 Da
logP: 2.50Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1629-78-3

SMILES

CC(=O)C1=NC2=CC=CC=C2S1

InChIKey

GSTOPVGJHLPSBJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3

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Names and synonyms

1 names

1-(1,3-Benzothiazol-2-yl)ethan-1-one

Work with 2-Acetylbenzothiazole

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-Methylbenzothiazole120-75-252 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-Acetylbenzothiophene22720-75-845 % similar 1-(2-Quinoxalinyl)ethanone25594-62-145 % similar 2-(Trimethylsilyl)benzothiazole32137-73-843 % similar 2-(Methylthio)benzothiazole615-22-543 % similar Accelerator DM120-78-543 % similar Mercaptobenzothiazole149-30-443 % similar

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

Same formula

1-(4-Isothiocyanatophenyl)ethan-1-one2131-57-9 3-Acetylphenylisothiocyanate3125-71-1 2-Hydroxy-4-phenylthiazole3884-31-9

Elsewhere

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