chempirical

2-(4-Bromophenyl)benzothiazole

C13H8BrNSCAS 19654-19-4290.18 g/mol

Open in Covalent MOL file
BrNS
Aryl halide

Properties

Molecular formula
C13H8BrNS
Molar mass
290.18 g/mol
Exact mass
288.9561 Da
Melting point
132 °C
logP
4.73Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
19654-19-4
SMILES
Brc1ccc(-c2nc3ccccc3s2)cc1
InChIKey
FQIRBKKYMJKENC-UHFFFAOYSA-N
InChI
InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

Weigh it out

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

Names and synonyms

7 names
  • Benzothiazole, 2-(4-bromophenyl)-
  • Benzothiazole, 2-(p-bromophenyl)-
  • 2-(4′-Bromophenyl)benzothiazole
  • 2-(p-Bromophenyl)benzothiazole
  • 2-(4-Bromophenyl)-1,3-benzothiazole
  • 2-(4′-Bromophenyl)benzo[d]thiazole
  • 2-(4-Bromophenyl)benzo[d]thiazole

Work with 2-(4-Bromophenyl)benzothiazole

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-Phenylbenzothiazole883-93-270 % similar 2-(4-Aminophenyl)benzothiazole6278-73-565 % similar 2-Bromobenzothiazole2516-40-752 % similar 2-(2′-Hydroxyphenyl)benzothiazole3411-95-847 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-(4-Bromophenyl)benzoxazole3164-13-444 % similar 2-(Bromomethyl)-1,3-benzothiazole106086-78-643 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook