2,4-Dibromothiazole

C₃HBr₂NSCAS 4175-77-3242.92 g/mol

Open in Covalent MOL file

Aryl halide

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

Danger

H302 Harmful if swallowed93.5% of notifiers
H315 Causes skin irritation97.8% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H335 May cause respiratory irritation93.5% 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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4175-77-3

SMILES

C1=C(N=C(S1)Br)Br

InChIKey

MKEJZKKVVUZXIS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,4-Dibromo-1,3-thiazole

Work with 2,4-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

4-Bromo-2-methyl-1,3-thiazole298694-30-152 % similar 4-Bromo-1,3-thiazol-2-amine502145-18-852 % similar 2-Bromo-4-methyl-1,3-thiazole7238-61-152 % similar (4-Bromo-1,3-thiazol-2-yl)methanol204513-31-546 % similar 2-Bromo-4-hydroxymethylthiazole5198-86-746 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-942 % similar 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-542 % similar Methyl 2-bromothiazole-4-carboxylate170235-26-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dibromothiazole4175-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook