chempirical

Benzo[B]thiophene-2-carbonyl chloride

C9H5ClOSCAS 39827-11-7196.65 g/mol

Open in Covalent MOL file
SOCl
Acyl halide

Properties

Molecular formula
C9H5ClOS
Molar mass
196.65 g/mol
Exact mass
195.9750 Da
logP
3.28Crippen estimate
Polar surface area
17.1 Ų
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
39827-11-7
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)Cl
InChIKey
DNGLRCHMGDDHNC-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H

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Work with Benzo[B]thiophene-2-carbonyl chloride

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-Acetylbenzothiophene22720-75-859 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-959 % similar Thianaphthene-2-carboxamide6314-42-759 % similar Methyl benzo(b)thiophene-2-carboxylate22913-24-254 % similar Benzo[b]thiophene-2-carboxylic hydrazide175135-07-646 % similar Anthracene-9-carbonyl chloride16331-52-546 % similar 2-Naphthoyl chloride2243-83-646 % similar Benzothiazole-2-carbonyl chloride67748-61-245 % similar

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

Elsewhere

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