6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one

C₇H₄BrNOSCAS 62266-82-4230.08 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₄BrNOS
Molar mass: 230.08 g/mol
Exact mass: 228.9197 Da
Melting point: 226 °C
logP: 2.76Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

62266-82-4

SMILES

Oc1nc2ccc(Br)cc2s1

InChIKey

HECJMTPEVWQFCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

9 names

6-Bromo-2-benzothiazolinone
2(3H)-Benzothiazolone, 6-bromo-
2-Benzothiazolol, 6-bromo-
6-Bromo-2(3H)-benzothiazolone
6-Bromo-2-hydroxybenzothiazole
6-Bromo-3H-benzothiazol-2-one
6-Bromo-1,3-benzothiazol-2(3H)-one
6-Bromo-2-oxo-2,3-dihydro-1,3-benzothiazole
6-Bromo-3H-1,3-benzothiazol-2-one

Work with 6-Bromo-2,3-dihydro-1,3-benzothiazol-2-one

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-Bromo-2-chlorobenzothiazole80945-86-459 % similar 2-Benzothiazolinone934-34-953 % similar 5-Chloro-2(3H)-benzothiazolone20600-44-646 % similar 6-Bromo-1,3-benzothiazole53218-26-146 % similar 3,7-Dibromodibenzo(b,d)thiophene83834-10-044 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-542 % similar 5-Bromo-2-methylbenzothiazole63837-11-642 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-941 % similar

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

Elsewhere

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