2-Amino-6-bromobenzothiazole

C₇H₅BrN₂SCAS 15864-32-1229.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrN₂S
Molar mass: 229.09 g/mol
Exact mass: 227.9357 Da
Melting point: 210–212 °C
logP: 2.47Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H317 May cause an allergic skin reaction97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

15864-32-1

SMILES

N=c1[nH]c2ccc(Br)cc2s1

InChIKey

VZEBSJIOUMDNLY-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

8 names

2-Benzothiazolamine, 6-bromo-
Benzothiazole, 2-amino-6-bromo-
Benzothiazole, 1-amino-5-bromo-
6-Bromo-2-benzothiazolamine
6-Bromo-2-aminobenzothiazole
NSC 270077
(6-Bromobenzothiazol-2-yl)amine
6-Bromobenzo[d]thiazol-2-amine

Work with 2-Amino-6-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-Amino-6-benzothiazolol26278-79-563 % similar 2-Amino-6-methylbenzothiazole2536-91-658 % similar 2-Amino-6-fluorobenzothiazole348-40-358 % similar 2-Amino-6-chlorobenzothiazole95-24-958 % similar 2-Amino-6-methoxybenzothiazole1747-60-053 % similar 2-Aminobenzothiazole136-95-852 % similar Riluzole1744-22-549 % similar 6-(Methylsulfonyl)-2-benzothiazolamine17557-67-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1,3-benzothiazol-2-amine20358-02-5 5-Bromo-1,3-benzothiazol-2-amine20358-03-6 3-Bromothieno[3,2-C]pyridin-4-amine799293-85-9

Elsewhere

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