2-(Bromomethyl)-1,3-benzothiazole

C8H6BrNSCAS 106086-78-6228.11 g/mol

Open in Covalent MOL file
NSBr
Alkyl halide

Properties

Molecular formula
C8H6BrNS
Molar mass
228.11 g/mol
Exact mass
226.9404 Da
logP
3.19Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
106086-78-6
SMILES
C1=CC=C2C(=C1)N=C(S2)CBr
InChIKey
WFLCAOGKZQTOIG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2

Weigh it out

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

Work with 2-(Bromomethyl)-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

2,2′-Methylenebis[benzothiazole]1945-78-468 % similar (1,3-Benzothiazol-2-yl)methanol37859-42-061 % similar 2-(Chloromethyl)benzothiazole37859-43-161 % similar 2-Benzothiazoleacetonitrile56278-50-358 % similar 2-Bromobenzothiazole2516-40-752 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-Methylbenzothiazole120-75-247 % similar Accelerator DM120-78-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-isothiocyanato-2-methylbenzene19241-38-4 2-Bromo-4-methylphenyl isothiocyanate19241-39-5 5-Bromo-2-methylbenzothiazole63837-11-6

Elsewhere

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