2-Bromo-5-fomylthiazole

C₄H₂BrNOSCAS 464192-28-7192.03 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₄H₂BrNOS
Molar mass: 192.03 g/mol
Exact mass: 190.9040 Da
logP: 1.72Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed85.4% of notifiers
H315 Causes skin irritation18.8% of notifiers
H317 May cause an allergic skin reaction81.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation18.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

464192-28-7

SMILES

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

InChIKey

DJUWIZUEHXRECB-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrNOS/c5-4-6-1-3(2-7)8-4/h1-2H

Weigh it out

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

Names and synonyms

1 names

2-Bromo-1,3-thiazole-5-carbaldehyde

Work with 2-Bromo-5-fomylthiazole

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-Methylthiazole-5-carbaldehyde1003-60-753 % similar 2-Chloro-1,3-thiazole-5-carbaldehyde95453-58-053 % similar 2,5-Dibromothiazole4175-78-446 % similar 2-Bromo-5-methylthiazole41731-23-143 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-142 % similar Thiophene-2,5-dicarbaldehyde932-95-641 % similar 2-Bromo-5-nitrothiazole3034-48-840 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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