2-Acetyl-5-chloro-3-methylthianaphthene

C₁₁H₉ClOSCAS 51527-18-5224.70 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₁H₉ClOS
Molar mass: 224.70 g/mol
Exact mass: 224.0063 Da
logP: 4.07Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
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

51527-18-5

SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)C

InChIKey

FQFYTUVWAHAYMK-UHFFFAOYSA-N

InChI

InChI=1S/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3

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Names and synonyms

1 names

1-(5-Chloro-3-methyl-benzo[b]thiophen-2-yl)-ethanone

Work with 2-Acetyl-5-chloro-3-methylthianaphthene

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-3-methylbenzo[B]thiophene18781-31-262 % similar 2-Bromo-5-chloro-3-methylbenzo(b)thiophene175203-60-854 % similar 5-Chloro-3-methylbenzo[b]thiophene-2-sulfonyl chloride166964-33-651 % similar 1-(2-Bromo-5-chlorophenyl)ethanone935-99-944 % similar 2',4'-Dichloroacetophenone2234-16-443 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-143 % similar 1-(3-Chlorophenyl)ethanone99-02-541 % similar P-Chloroacetophenone99-91-241 % similar

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

Elsewhere

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