2-(4-Bromophenyl)benzothiazole

C₁₃H₈BrNSCAS 19654-19-4290.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₈BrNS
Molar mass: 290.18 g/mol
Exact mass: 288.9561 Da
Melting point: 132 °C
logP: 4.73Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
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
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

19654-19-4

SMILES

Brc1ccc(-c2nc3ccccc3s2)cc1

InChIKey

FQIRBKKYMJKENC-UHFFFAOYSA-N

InChI

InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

Weigh it out

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

Names and synonyms

7 names

Benzothiazole, 2-(4-bromophenyl)-
Benzothiazole, 2-(p-bromophenyl)-
2-(4′-Bromophenyl)benzothiazole
2-(p-Bromophenyl)benzothiazole
2-(4-Bromophenyl)-1,3-benzothiazole
2-(4′-Bromophenyl)benzo[d]thiazole
2-(4-Bromophenyl)benzo[d]thiazole

Work with 2-(4-Bromophenyl)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-Phenylbenzothiazole883-93-270 % similar 2-(4-Aminophenyl)benzothiazole6278-73-565 % similar 2-Bromobenzothiazole2516-40-752 % similar 2-(2'-Hydroxyphenyl)benzothiazole3411-95-847 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-(4-Bromophenyl)-1H-benzimidazole2622-74-446 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-344 % similar 2-(4-Bromophenyl)benzoxazole3164-13-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3-Bromophenyl)benzo[D]thiazole19654-14-9

Elsewhere

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