3-Bromo-1-benzothiophene

C₈H₅BrSCAS 7342-82-7213.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅BrS
Molar mass: 213.09 g/mol
Exact mass: 211.9295 Da
logP: 3.66Crippen estimate
Polar surface area: 0.0 Å²
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. Search the SDS library

Identifiers

CAS number

7342-82-7

SMILES

C1=CC=C2C(=C1)C(=CS2)Br

InChIKey

SRWDQSRTOOMPMO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H

Weigh it out

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

Names and synonyms

1 names

Benzo(b)thiophene, 3-bromo-

Work with 3-Bromo-1-benzothiophene

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

3-Methylbenzothiophene1455-18-150 % similar 4-Bromodibenzothiophene97511-05-248 % similar 1-Bromodibenzothiophene65642-94-647 % similar 1,4-Dibromonaphthalene83-53-446 % similar (1-Benzothiophen-3-yl)boronic acid113893-08-645 % similar Benzo[b]thiophene-3-carboxaldehyde5381-20-445 % similar 3-Bromothieno(3,2-b)thiophene25121-83-945 % similar 1,5-Dibromonaphthalene7351-74-842 % similar

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

Same formula

7-Bromo-benzo[B]thiophene1423-61-6 6-Bromobenzo[b]thiophene17347-32-9 5-Bromobenzo[B]thiophene4923-87-9 4-Bromobenzo[b]thiophene5118-13-8 2-Bromobenzo(b)thiophene5394-13-8

Elsewhere

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