Benzo[B]thiophene-2-carbonyl chloride

C₉H₅ClOSCAS 39827-11-7196.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅ClOS
Molar mass: 196.65 g/mol
Exact mass: 195.9750 Da
logP: 3.28Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals20% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

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

Weigh it out

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

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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