chempirical

7-Bromo-benzo[B]thiophene

C8H5BrSCAS 1423-61-6213.09 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
logP
3.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1423-61-6
SMILES
C1=CC2=C(C(=C1)Br)SC=C2
InChIKey
NOICDPBEDNMHQK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H

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Names and synonyms

1 names
  • 7-Bromobenzo[b]thiophene

Work with 7-Bromo-benzo[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

2,3-Dibromothiophene3140-93-042 % similar Benzothiophene95-15-842 % similar 2,3-Dibromonaphthalene13214-70-540 % similar 7-Bromobenzothiazole767-70-440 % similar 7-Bromo-1H-indazole53857-58-239 % similar 1-Bromo-8-chloronaphthalene20816-79-938 % similar 8-Bromoquinoline16567-18-337 % similar 8-Bromo-1-naphthalenamine62456-34-237 % similar

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

Same formula

6-Bromobenzo[B]thiophene17347-32-9 4-Bromobenzo[B]thiophene5118-13-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook