chempirical

6-Bromo-2-chlorobenzothiazole

C7H3BrClNSCAS 80945-86-4248.52 g/mol

Open in Covalent MOL file
ClNBrS
Aryl halide

Properties

Molecular formula
C7H3BrClNS
Molar mass
248.52 g/mol
Exact mass
246.8858 Da
Melting point
100–101 °C
logP
3.71Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
80945-86-4
SMILES
Clc1nc2ccc(Br)cc2s1
InChIKey
IJQSMNIZBBEBKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Benzothiazole, 6-bromo-2-chloro-
  • 2-Chloro-6-bromobenzothiazole
  • 6-Bromo-2-chlorobenzo[d]thiazole
  • 6-Bromo-2-chloro-1,3-benzothiazole
  • 2-Chloro-6-bromobenzo[d]thiazole

Work with 6-Bromo-2-chlorobenzothiazole

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

2,6-Dichlorobenzothiazole3622-23-963 % similar 6-Bromo-2-benzothiazolinone62266-82-459 % similar 2-Chloro-6-methoxybenzothiazole2605-14-354 % similar 2-Chlorobenzothiazole615-20-353 % similar 2-Chloro-6-nitrobenzothiazole2407-11-650 % similar 6-Bromo-2,4-dichloroquinazoline102393-82-842 % similar 6-Bromo-2-chloroquinoxaline55687-02-042 % similar 5-Bromo-2-methylbenzothiazole63837-11-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook