7-Bromobenzothiazole

C₇H₄BrNSCAS 767-70-4214.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄BrNS
Molar mass: 214.08 g/mol
Exact mass: 212.9248 Da
Melting point: 82 °C
logP: 3.06Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

767-70-4

SMILES

Brc1cccc2ncsc12

InChIKey

HIHGDDIOQDNKSV-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzothiazole, 7-bromo-
7-Bromobenzo[d]thiazole
7-Bromo-1,3-benzothiazole

Work with 7-Bromobenzothiazole

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

Benzothiazole95-16-946 % similar 3-Bromo-2-chloropyridine52200-48-335 % similar 8-Bromoquinoline16567-18-334 % similar 4-Bromobenzo[B]thiophene5118-13-834 % similar 1,2-Dibromobenzene583-53-933 % similar 4-Bromodibenzothiophene97511-05-233 % similar 2,6-Dibromoaniline608-30-032 % similar 2,6-Dibromophenol608-33-332 % similar

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

Same formula

1-Bromo-2-isothiocyanatobenzene13037-60-0 4-Bromophenyl isothiocyanate1985-12-2 3-Bromophenyl isothiocyanate2131-59-1 2-Bromobenzothiazole2516-40-7 5-Bromobenzothiazole768-11-6

Elsewhere

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