1-(Benzo[d]thiazol-5-yl)ethanone

C₉H₇NOSCAS 90347-90-3177.22 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

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

90347-90-3

SMILES

CC(=O)C1=CC2=C(C=C1)SC=N2

InChIKey

FCKINXPLWQMSSB-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Ethanone, 1-(5-benzothiazolyl)- (9ci)

Work with 1-(Benzo[d]thiazol-5-yl)ethanone

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

Benzothiazole-5-carboxylic acid68867-17-462 % similar 6-Benzothiazolecarboxylic acid3622-35-346 % similar Benzothiazol-5-amine1123-93-946 % similar 5-Bromobenzothiazole768-11-646 % similar 1,4-Diacetylbenzene1009-61-645 % similar 1,3-Diacetylbenzene6781-42-644 % similar 3,4-Dimethoxyacetophenone1131-62-044 % similar 3,4-Dimethylacetophenone3637-01-243 % similar

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

Same formula

2-Acetylbenzothiazole1629-78-3 1-(4-Isothiocyanatophenyl)ethan-1-one2131-57-9 3-Acetylphenylisothiocyanate3125-71-1 2-Hydroxy-4-phenylthiazole3884-31-9 Thianaphthene-2-carboxamide6314-42-7

Elsewhere

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