chempirical

6-Bromo-2-benzothiazolinone

C7H4BrNOSCAS 62266-82-4230.08 g/mol

Open in Covalent MOL file
HONBrS
Aryl halidePhenol

Properties

Molecular formula
C7H4BrNOS
Molar mass
230.08 g/mol
Exact mass
228.9197 Da
Melting point
226 °C
logP
2.76Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
62266-82-4
SMILES
Oc1nc2ccc(Br)cc2s1
InChIKey
HECJMTPEVWQFCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 2(3H)-Benzothiazolone, 6-bromo-
  • 2-Benzothiazolol, 6-bromo-
  • 6-Bromo-2(3H)-benzothiazolone
  • 6-Bromo-2-hydroxybenzothiazole
  • 6-Bromo-3H-benzothiazol-2-one
  • 6-Bromo-1,3-benzothiazol-2(3H)-one
  • 6-Bromo-2-oxo-2,3-dihydro-1,3-benzothiazole
  • 6-Bromo-3H-1,3-benzothiazol-2-one

Work with 6-Bromo-2-benzothiazolinone

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

6-Bromo-2-chlorobenzothiazole80945-86-459 % similar 2-Benzothiazolinone934-34-953 % similar 5-Chloro-2(3H)-benzothiazolone20600-44-646 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-542 % similar 5-Bromo-2-methylbenzothiazole63837-11-642 % similar 4-Chloro-2(3H)-benzothiazolone39205-62-439 % similar 5-Bromo-2-benzoxazolinone14733-73-438 % similar 5-Bromobenzothiazole768-11-638 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook