7-Bromobenzothiazole

C7H4BrNSCAS 767-70-4214.08 g/mol

Open in Covalent MOL file
BrNS
Aryl halide

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5-Bromoquinoline4964-71-047 % similar Benzothiazole95-16-946 % similar 5-Bromo-quinazoline958452-00-144 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-542 % similar 4-Bromoquinoline3964-04-342 % similar 7-Bromo-benzo[B]thiophene1423-61-640 % similar 4,6-Dibromodibenzothiophene669773-34-639 % similar 3,3'-Dibromo-2,2'-bithiophene51751-44-136 % 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 5-Bromobenzothiazole768-11-6

Elsewhere

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