chempirical

6-Bromo-1,3-benzothiazole

C7H4BrNSCAS 53218-26-1214.08 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
logP
3.06Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53218-26-1
SMILES
C1=CC2=C(C=C1Br)SC=N2
InChIKey
YJOUISWKEOXIMC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

Weigh it out

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

Work with 6-Bromo-1,3-benzothiazole

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-Benzothiazolamine533-30-255 % similar 6-Methoxybenzothiazole2942-13-450 % similar Benzothiazole95-16-948 % similar 6-Bromoquinoxaline50998-17-947 % similar 1,3-Benzothiazole-6-sulfonyl chloride181124-40-346 % similar 6-Nitrobenzothiazole2942-06-546 % similar 6-Benzothiazolecarboxylic acid3622-35-346 % similar 6-Bromo-2-benzothiazolinone62266-82-446 % 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 4-Bromobenzo[d]thiazole767-68-0 7-Bromobenzothiazole767-70-4 5-Bromobenzothiazole768-11-6

Elsewhere

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