2-Bromobenzothiazole

C₇H₄BrNSCAS 2516-40-7214.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄BrNS
Molar mass: 214.08 g/mol
Exact mass: 212.9248 Da
Melting point: 95 °C (decomposes)
logP: 3.06Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

2516-40-7

SMILES

Brc1nc2ccccc2s1

InChIKey

DRLMMVPCYXFPEP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzothiazole, 2-bromo-
2-Bromo-1,3-benzothiazole
2-Bromobenzo[d]thiazole

Work with 2-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

2-Fluorobenzothiazole1123-98-452 % similar 2-Methylbenzothiazole120-75-252 % similar Accelerator dm120-78-552 % similar Mercaptobenzothiazole149-30-452 % similar 2,2′-Methylenebis[benzothiazole]1945-78-452 % similar 2-Chlorobenzothiazole615-20-352 % similar 2-Benzothiazolinone934-34-952 % similar 2-(Bromomethyl)-1,3-benzothiazole106086-78-652 % 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 7-Bromobenzothiazole767-70-4 5-Bromobenzothiazole768-11-6

Elsewhere

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