2-Bromo-5-nitrothiazole

C₃HBrN₂O₂SCAS 3034-48-8209.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₃HBrN₂O₂S
Molar mass: 209.02 g/mol
Exact mass: 207.8942 Da
Melting point: 91 °C
logP: 1.81Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3034-48-8

SMILES

O=[N+]([O-])c1cnc(Br)s1

InChIKey

ANIJFZVZXZQFDH-UHFFFAOYSA-N

InChI

InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H

Weigh it out

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

Names and synonyms

4 names

Thiazole, 2-bromo-5-nitro-
5-Nitro-2-bromothiazole
2-Bromo-5-nitro-1,3-thiazole
NSC 91531

Work with 2-Bromo-5-nitrothiazole

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-Bromo-5-nitrothiophene13195-50-147 % similar 2-(Acetylamino)-5-nitrothiazole140-40-946 % similar 2,5-Dibromothiazole4175-78-442 % similar 5-Bromo-2-nitropyridine39856-50-341 % similar 2-Bromo-5-nitropyridine4487-59-641 % similar 2-Bromo-4-nitroimidazole65902-59-241 % similar 2-Bromo-5-fomylthiazole464192-28-740 % similar Tizoxanide173903-47-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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