5-Chlorobenzo(b)thiophene

C8H5ClSCAS 20532-33-6168.64 g/mol

Open in Covalent MOL file
ClS
Aryl halide

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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

Names and synonyms

3 names
  • 5-Chlorobenzo[B]thiophene
  • 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

Benzo[1,2-B:4,5-B']dithiophene267-65-254 % similar 5-Methylbenzo[b]thiophene14315-14-152 % similar Benzo(b)thiophen-5-amine20532-28-952 % similar 5-Bromobenzo[B]thiophene4923-87-952 % similar Benzothiophene95-15-844 % similar 2-Chloronaphthalene91-58-743 % similar 2-Chloroanthracene17135-78-341 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-1-benzothiophene66490-33-3

Elsewhere

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