2,5-Dibromothiazole

C₃HBr₂NSCAS 4175-78-4242.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃HBr₂NS
Molar mass: 242.92 g/mol
Exact mass: 240.8196 Da
logP: 2.67Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

4175-78-4

SMILES

C1=C(SC(=N1)Br)Br

InChIKey

XIBIQFJKUZZLLX-UHFFFAOYSA-N

InChI

InChI=1S/C3HBr2NS/c4-2-1-6-3(5)7-2/h1H

Weigh it out

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

Work with 2,5-Dibromothiazole

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-methylthiazole41731-23-152 % similar 2-Bromo-5-fomylthiazole464192-28-746 % similar 2-Bromo-5-hydroxymethylthiazole687636-93-746 % similar 2-Bromo-5-nitrothiazole3034-48-842 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-042 % similar Methyl 2-bromothiazole-5-carboxylate54045-74-838 % similar 2,5-Dibromothiophene3141-27-336 % similar Ethyl 2-bromothiazole-5-carboxylate41731-83-335 % similar

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

Same formula

2,4-Dibromothiazole4175-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook