6-Bromobenzo[b]thiophene

C8H5BrSCAS 17347-32-9213.09 g/mol

Open in Covalent MOL file
BrS
Aryl halide

Properties

Molecular formula
C8H5BrS
Molar mass
213.09 g/mol
Exact mass
211.9295 Da
Melting point
56 °C
Boiling point
139–140 °C (at 30 Torr)
logP
3.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
17347-32-9
SMILES
Brc1ccc2ccsc2c1
InChIKey
OQIMJOXSDVGEBU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H

Weigh it out

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

Names and synonyms

4 names
  • Benzo[b]thiophene, 6-bromo-
  • 6-Bromobenzothiophene
  • 6-Bromo-1-benzothiophene
  • 6-Bromo-benzo[b]thiophene

Work with 6-Bromobenzo[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 2,6-Dibromonaphthalene13720-06-450 % similar 2,7-Dibromonaphthalene58556-75-548 % similar 6-Methoxybenzo(B)thiophene90560-10-447 % similar 3,7-Dibromodibenzo(b,d)thiophene83834-10-046 % similar 2,6-Dibromoanthracene186517-01-146 % similar 2,7-Dibromophenanthrene62325-30-844 % similar Benzothiophene95-15-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-benzo[B]thiophene1423-61-6 5-Bromobenzo[B]thiophene4923-87-9 4-Bromobenzo[b]thiophene5118-13-8 2-Bromobenzo(b)thiophene5394-13-8 3-Bromo-1-benzothiophene7342-82-7

Elsewhere

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