6-Acetyl-2(3H)-benzothiazolone

C₉H₇NO₂SCAS 133044-44-7193.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NO₂S
Molar mass: 193.22 g/mol
Exact mass: 193.0197 Da
logP: 1.79Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

133044-44-7

SMILES

CC(=O)C1=CC2=C(C=C1)NC(=O)S2

InChIKey

UFRAIEFXNRTICG-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2(3H)-Benzothiazolone,6-acetyl-(9ci)

Work with 6-Acetyl-2(3H)-benzothiazolone

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

1-(1H-Indol-5-yl)ethanone53330-94-246 % similar 1,4-Diacetylbenzene1009-61-642 % similar 2-Amino-6-benzothiazolecarboxylic acid93-85-642 % similar 1,3-Diacetylbenzene6781-42-642 % similar 3,4-Dimethylacetophenone3637-01-241 % similar 3′,4′-Dihydroxyacetophenone1197-09-740 % similar 3′,4′-Dichloroacetophenone2642-63-940 % similar 1-(3,4-Difluorophenyl)ethanone369-33-540 % similar

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

Same formula

Methyl 2-isothiocyanatobenzoate16024-82-1 Methyl 3-isothiocyanatobenzoate3125-66-4

Elsewhere

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