chempirical

2-Bromo-5-phenylthiophene

C10H7BrSCAS 29488-24-2239.13 g/mol

Open in Covalent MOL file
BrS
Aryl halide

Properties

Molecular formula
C10H7BrS
Molar mass
239.13 g/mol
Exact mass
237.9452 Da
logP
4.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
29488-24-2
SMILES
Brc1ccc(-c2ccccc2)s1
InChIKey
RVCTZBRMQZWVDA-UHFFFAOYSA-N
InChI
InChI=1S/C10H7BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H

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

Names and synonyms

3 names
  • Thiophene, 2-bromo-5-phenyl-
  • 5-Bromo-2-phenylthiophene
  • 2-Phenyl-5-bromothiophene

Work with 2-Bromo-5-phenylthiophene

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-(4-Bromophenyl)-5-phenylthiophene118621-30-059 % similar 2-(5-Bromo-2-thienyl)pyridine123784-07-652 % similar 2,5-Dibromothiophene3141-27-350 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-144 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-341 % similar 2-Bromo-5-chlorothiophene2873-18-939 % similar 2-Bromo-5-methylthiophene765-58-239 % similar 2-Phenylthiophene825-55-839 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook