2-Bromo-6-methoxy-1,3-benzothiazole

C₈H₆BrNOSCAS 2941-58-4244.11 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₆BrNOS
Molar mass: 244.11 g/mol
Exact mass: 242.9353 Da
logP: 3.07Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2941-58-4

SMILES

COC1=CC2=C(C=C1)N=C(S2)Br

InChIKey

YNONWDJSSPJFBQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-6-methoxybenzothiazole

Work with 2-Bromo-6-methoxy-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-Methoxy-2-methylbenzothiazole2941-72-264 % similar 2-Chloro-6-methoxybenzothiazole2605-14-362 % similar 2-Cyano-6-methoxybenzothiazole943-03-357 % similar 6-Methoxybenzothiazole2942-13-450 % similar 2-Bromobenzothiazole2516-40-749 % similar 5-Methoxy-2-methylbenzothiazole2941-69-748 % similar Frentizole26130-02-946 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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