5-Bromothiazole

C₃H₂BrNSCAS 3034-55-7164.02 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₂BrNS
Molar mass: 164.02 g/mol
Exact mass: 162.9091 Da
logP: 1.91Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3034-55-7

SMILES

C1=C(SC=N1)Br

InChIKey

DWUPYMSVAPQXMS-UHFFFAOYSA-N

InChI

InChI=1S/C3H2BrNS/c4-3-1-5-2-6-3/h1-2H

Weigh it out

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

Work with 5-Bromothiazole

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

5-Methylthiazole3581-89-342 % similar 5-Thiazolecarboxaldehyde1003-32-337 % similar 5-Thiazolylmethanol38585-74-937 % similar 2,5-Dibromothiazole4175-78-435 % similar Thiazole-5-carboxylic acid14527-41-433 % similar 2-Bromothiophene1003-09-432 % similar 2,5-Dibromothiophene3141-27-332 % similar 2,4-Dibromothiophene3140-92-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-isothiazole24340-77-0 2-Bromothiazole3034-53-5 4-Bromothiazole34259-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook