5-Chlorobenzo[B]thiophene

C₈H₅ClSCAS 20532-33-6168.64 g/mol

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Properties

Molecular formula: C₈H₅ClS
Molar mass: 168.64 g/mol
Exact mass: 167.9800 Da
Boiling point: 85 °C (at 4 Torr)
logP: 3.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

20532-33-6

SMILES

Clc1ccc2sccc2c1

InChIKey

SNYURIHMNFPQFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H

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Names and synonyms

2 names

Benzo[b]thiophene, 5-chloro-
5-Chlorobenzothiophene

Work with 5-Chlorobenzo[B]thiophene

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

5-Methylbenzo[B]thiophene14315-14-152 % similar Benzothiophene95-15-844 % similar 2-Chloronaphthalene91-58-743 % similar 2-Chloroanthracene17135-78-341 % similar 5-Chloro-3-methylbenzo[B]thiophene19404-18-341 % similar 3-(Bromomethyl)-5-chlorobenzo[B]thiophene1198-51-238 % similar 6-Bromobenzo[B]thiophene17347-32-938 % similar 5-Chloroindole17422-32-138 % similar

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

Same formula

4-Chlorobenzo[B]thiophene66490-33-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook