4-Bromobenzo[d]thiazole

C7H4BrNSCAS 767-68-0214.08 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
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 2 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
767-68-0
SMILES
C1=CC2=C(C(=C1)Br)N=CS2
InChIKey
SXZKODVCLOIJGX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • Benzothiazole, 4-bromo- (7ci,8ci)

Work with 4-Bromobenzo[d]thiazole

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

Benzothiazole95-16-945 % similar 8-Bromoquinoline16567-18-342 % similar 4-Bromobenzo[b]thiophene5118-13-842 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-541 % similar 4-Bromo-1H-benzimidazole83741-35-939 % similar 4,7-Dibromo-2,1,3-benzothiadiazole15155-41-638 % similar 3-Bromo-1-benzothiophene7342-82-738 % similar 8-Bromo-2-chloroquinazoline956100-63-337 % 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 7-Bromobenzothiazole767-70-4 5-Bromobenzothiazole768-11-6

Elsewhere

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