5-Bromo-2-methylbenzothiazole

C₈H₆BrNSCAS 63837-11-6228.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆BrNS
Molar mass: 228.11 g/mol
Exact mass: 226.9404 Da
Melting point: 77.8–78.4 °C
logP: 3.37Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

63837-11-6

SMILES

Cc1nc2cc(Br)ccc2s1

InChIKey

OLQKNZNXLBILDD-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzothiazole, 5-bromo-2-methyl-
2-Methyl-5-bromobenzothiazole
5-Bromo-2-methyl-1,3-benzothiazole
5-Bromo-2-methylbenzo[d]thiazole

Work with 5-Bromo-2-methylbenzothiazole

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

2,5-Dimethylbenzothiazole95-26-163 % similar 5-Chloro-2-methylbenzothiazole1006-99-159 % similar 5-Amino-2-methylbenzothiazole13382-43-959 % similar 5-Fluoro-2-methylbenzothiazole399-75-759 % similar 2-Methyl-5-phenylbenzothiazole71215-89-957 % similar 5-Methoxy-2-methylbenzothiazole2941-69-756 % similar 2-Methylbenzothiazole120-75-253 % similar 2,5,6-Trimethylbenzothiazole5683-41-052 % similar

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

Same formula

2-(Bromomethyl)-1,3-benzothiazole106086-78-6 4-Bromo-1-isothiocyanato-2-methylbenzene19241-38-4

Elsewhere

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