5-Bromobenzothiazole

C7H4BrNSCAS 768-11-6214.08 g/mol

Open in Covalent MOL file
BrSN
Aryl halide

Properties

Molecular formula
C7H4BrNS
Molar mass
214.08 g/mol
Exact mass
212.9248 Da
Melting point
106 °C
logP
3.06Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
768-11-6
SMILES
Brc1ccc2scnc2c1
InChIKey
KFDDRUWQFQJGNL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

Weigh it out

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

Names and synonyms

2 names
  • Benzothiazole, 5-bromo-
  • 5-Bromobenzo[d]thiazole

Work with 5-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

Benzothiazol-5-amine1123-93-955 % similar Benzothiazole95-16-948 % similar 6-Bromoquinoxaline50998-17-947 % similar 5-Nitrobenzothiazole2942-07-646 % similar Benzothiazole-5-carboxylic acid68867-17-446 % similar 1-(Benzo[d]thiazol-5-yl)ethanone90347-90-346 % similar 5-Bromo-2-methylbenzothiazole63837-11-646 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-945 % 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 6-Bromo-1,3-benzothiazole53218-26-1 4-Bromobenzo[d]thiazole767-68-0 7-Bromobenzothiazole767-70-4

Elsewhere

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